data_2l58_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 2l58 _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 core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.29 0.567 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.33 78.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.422 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.62 96.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 109.58 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.08 -51.92 53.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.79 -42.15 97.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 0.0 108.894 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -59.94 -52.69 64.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.312 -0.867 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.11 74.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -34.14 69.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.74 -44.71 69.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 108.833 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.74 -35.89 79.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.417 -0.802 . . . . 0.0 108.935 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -67.98 -25.8 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.98 69.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.155 -0.966 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.04 -32.02 73.53 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.93 -41.64 98.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -76.03 -32.17 59.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.394 -1.062 . . . . 0.0 108.843 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.8 -45.88 90.95 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.454 -0.779 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.03 -37.86 86.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.633 -0.667 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -56.13 -46.44 79.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.585 -0.697 . . . . 0.0 110.109 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -72.13 -35.45 69.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.065 -1.022 . . . . 0.0 108.586 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.91 -49.45 77.77 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.45 -0.781 . . . . 0.0 109.934 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 31' ' ' ARG . 9.0 t -74.55 -23.58 58.81 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.112 -0.992 . . . . 0.0 110.023 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.5 ttp -59.78 -50.95 71.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.224 -0.922 . . . . 0.0 111.47 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -86.59 -10.58 53.61 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.576 -1.328 . . . . 0.0 111.158 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -86.88 -42.29 13.33 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.627 -1.295 . . . . 0.0 108.31 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' NE ' ' OG1' ' A' ' 27' ' ' THR . 99.4 mtt180 -66.65 -19.44 65.77 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 0.0 109.351 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.46 76.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 109.455 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -51.14 69.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 0.0 109.636 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.48 -44.7 90.2 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.478 -0.764 . . . . 0.0 109.526 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.93 -42.1 99.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -57.34 -52.2 66.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.688 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -35.07 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.0 110.094 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.73 73.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.894 . . . . 0.0 109.822 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.58 -58.55 4.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 110.16 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.11 -30.92 69.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.067 -1.021 . . . . 0.0 110.207 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.49 -33.52 72.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.09 -1.006 . . . . 0.0 109.142 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.35 60.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.322 -0.861 . . . . 0.0 109.289 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -65.58 -32.06 73.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.383 -0.823 . . . . 0.0 108.826 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -29.08 69.77 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.86 -33.7 60.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.534 -0.98 . . . . 0.0 109.123 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -70.17 -46.12 65.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.91 -30.94 71.93 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -65.5 -44.59 86.55 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.573 -0.704 . . . . 0.0 109.114 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 11.1 tt0 -65.76 -39.9 91.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.47 -0.769 . . . . 0.0 109.39 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -63.8 -50.77 67.66 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -65.66 -24.07 66.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.11 -50.88 70.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.064 -1.022 . . . . 0.0 110.931 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 64.2 p-90 -98.61 -12.61 20.95 Favored 'General case' 0 N--CA 1.513 2.691 0 O-C-N 121.048 -1.032 . . . . 0.0 110.872 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -87.77 -38.51 15.7 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.644 -1.285 . . . . 0.0 109.044 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -66.38 -37.74 85.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.507 -0.745 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.424 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.069 0.462 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -24.48 51.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -0.946 . . . . 0.0 109.799 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.84 59.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.07 -50.83 72.08 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.527 -0.733 . . . . 0.0 110.099 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.95 -36.24 78.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.299 -0.876 . . . . 0.0 108.777 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -64.11 -52.55 58.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.06 68.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 109.709 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.75 79.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -71.18 -48.73 49.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.253 -0.904 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.95 -37.96 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.56 -32.54 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.331 -0.856 . . . . 0.0 109.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.23 -57.11 5.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.333 -0.855 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.53 -32.12 73.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 108.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.3 -26.38 71.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.22 -1.552 . . . . 0.0 109.22 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.69 -36.76 62.76 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.43 -1.041 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.71 -46.38 66.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.71 -34.87 76.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -59.8 -51.46 69.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.648 -0.657 . . . . 0.0 109.426 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.16 -44.42 95.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 109.446 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 58.2 mtp180 -57.39 -48.97 77.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.651 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -76.94 -23.92 52.39 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.641 -1.287 . . . . 0.0 110.194 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.63 -50.55 71.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -0.945 . . . . 0.0 110.532 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 51.8 p-90 -70.95 -23.25 62.19 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.713 -1.242 . . . . 0.0 109.98 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.15 -31.42 25.2 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.979 -1.075 . . . . 0.0 108.612 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -65.9 -45.92 80.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.531 -0.731 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.73 66.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.898 . . . . 0.0 109.26 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.34 98.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -64.25 -35.35 80.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.338 -0.851 . . . . 0.0 109.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.1 -36.0 82.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.838 . . . . 0.0 108.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.8 m -61.19 -52.8 63.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 109.758 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.71 76.74 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.159 -0.963 . . . . 0.0 110.069 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.29 70.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.351 -0.843 . . . . 0.0 109.216 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -66.24 -58.36 5.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.788 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.74 -38.64 91.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.317 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -65.56 -29.89 70.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.334 -0.854 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.78 80.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 109.663 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.21 -32.0 73.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.0 108.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.73 93.93 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -76.28 -32.59 58.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.368 -1.077 . . . . 0.0 109.342 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.57 -45.6 86.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.408 -0.808 . . . . 0.0 109.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.23 -31.54 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.002 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.41 -43.92 98.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.434 -0.791 . . . . 0.0 109.124 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.79 -44.36 96.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -0.839 . . . . 0.0 109.059 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.93 -51.34 69.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.399 -0.813 . . . . 0.0 109.44 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.5 p -65.7 -24.33 66.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -0.844 . . . . 0.0 110.14 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.55 -50.39 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -99.97 -12.22 19.96 Favored 'General case' 0 N--CA 1.513 2.717 0 O-C-N 121.214 -0.929 . . . . 0.0 110.953 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -88.93 -39.3 13.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.585 -1.322 . . . . 0.0 109.179 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -62.73 -38.58 91.06 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.44 -0.788 . . . . 0.0 109.611 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.359 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.24 69.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 0.0 109.407 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.25 92.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.321 -0.862 . . . . 0.0 109.458 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.02 -51.77 65.47 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.568 -0.707 . . . . 0.0 109.59 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.96 -34.66 78.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.0 m -58.77 -52.73 64.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.31 -0.869 . . . . 0.0 109.692 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.25 66.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.033 -1.042 . . . . 0.0 110.298 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.31 64.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.073 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.76 -51.33 67.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.506 -0.746 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.04 -36.04 78.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.269 -0.895 . . . . 0.0 108.749 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.27 -24.75 62.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.13 70.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.24 -0.912 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.2 -30.86 71.79 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.68 -38.99 97.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -75.87 -34.32 60.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.344 -1.092 . . . . 0.0 109.286 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -66.56 -45.8 78.14 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 108.772 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.57 -34.28 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -59.84 -41.22 90.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.31 -40.57 86.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.748 . . . . 0.0 109.053 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -60.6 -48.12 83.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 108.876 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.1 p -71.52 -24.47 61.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -60.61 -50.44 73.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.136 -0.977 . . . . 0.0 110.87 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -96.09 -14.35 22.94 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 121.009 -1.057 . . . . 0.0 110.942 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.695 -1.253 . . . . 0.0 109.368 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -64.94 -54.85 24.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.451 -0.78 . . . . 0.0 109.596 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.303 -0.873 . . . . 0.0 109.363 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.85 65.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.797 . . . . 0.0 109.474 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.68 92.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.571 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -66.71 -49.42 66.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.342 -0.849 . . . . 0.0 109.513 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.8 mp -63.62 -48.1 78.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.913 . . . . 0.0 108.563 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -55.37 -52.36 63.78 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.26 -0.9 . . . . 0.0 110.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.19 61.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.281 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.35 77.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -67.08 -47.41 71.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.209 -0.932 . . . . 0.0 108.905 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.66 -36.98 83.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.397 -0.814 . . . . 0.0 109.006 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.19 -32.92 74.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.317 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.43 76.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.0 109.556 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.55 74.08 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.22 68.38 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 -31.96 61.79 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.494 -1.003 . . . . 0.0 109.07 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.04 -45.64 93.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.65 -37.76 85.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -56.65 -37.18 70.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.505 -0.747 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 10.1 tt0 -74.68 -39.71 61.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.877 . . . . 0.0 109.248 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.05 -48.25 82.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.3 -0.875 . . . . 0.0 109.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -70.85 -24.05 62.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.971 -1.081 . . . . 0.0 109.828 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.18 -50.68 72.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.272 -0.892 . . . . 0.0 110.916 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 62.1 p-90 -97.91 -14.19 20.8 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.03 -1.044 . . . . 0.0 111.002 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.12 -37.91 16.95 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.69 -1.256 . . . . 0.0 108.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -63.97 -45.77 87.64 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.394 -0.816 . . . . 0.0 109.468 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.873 . . . . 0.0 109.511 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.32 -20.42 28.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.183 -0.948 . . . . 0.0 109.768 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.31 82.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 109.765 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -64.72 -40.9 96.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.444 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -71.15 -29.78 65.64 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -64.34 -52.5 58.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.352 -0.843 . . . . 0.0 109.484 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.46 68.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.681 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.87 79.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.46 -44.55 70.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.27 -35.23 80.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.36 -33.0 74.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.433 -0.792 . . . . 0.0 109.374 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.39 76.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 109.709 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -31.95 73.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.906 . . . . 0.0 108.765 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.82 -40.13 93.63 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.99 -33.22 59.72 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.327 -1.102 . . . . 0.0 109.327 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.54 -46.05 81.06 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.81 -37.14 86.62 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -58.23 -36.83 73.76 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.428 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.18 -40.22 59.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.355 -0.84 . . . . 0.0 109.198 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.843 . . . . 0.0 109.72 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -74.11 -23.91 59.38 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.976 -1.077 . . . . 0.0 109.939 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -60.48 -50.78 72.2 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -92.3 -17.4 24.8 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.814 -1.179 . . . . 0.0 111.07 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -83.78 -38.57 21.13 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.719 -1.238 . . . . 0.0 108.776 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -64.72 -38.59 91.52 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.517 -0.74 . . . . 0.0 109.352 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.438 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.56 72.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.563 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -59.76 -47.19 86.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.182 -0.949 . . . . 0.0 108.989 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.09 -37.41 87.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -63.45 -52.46 61.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 109.496 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.2 69.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.377 -0.827 . . . . 0.0 109.759 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -71.54 -46.83 58.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.195 -0.941 . . . . 0.0 109.387 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.59 -37.75 87.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.19 -32.38 72.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.94 71.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.366 -0.834 . . . . 0.0 109.625 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.24 -28.4 69.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.293 -0.879 . . . . 0.0 108.881 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.09 -30.03 69.54 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.03 -36.04 59.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.581 -0.953 . . . . 0.0 109.258 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.52 -47.35 70.19 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 108.746 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -31.18 71.44 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -64.92 -47.98 75.76 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.44 -0.787 . . . . 0.0 109.334 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 26.8 mt-30 -65.42 -41.26 93.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.857 . . . . 0.0 109.349 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.81 -48.36 80.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.0 109.089 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.1 p -69.26 -24.25 63.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.352 -0.842 . . . . 0.0 109.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.76 -50.62 71.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.905 . . . . 0.0 110.995 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 60.8 p-90 -97.74 -12.56 22.16 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.103 -0.998 . . . . 0.0 110.876 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -88.31 -41.96 12.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.676 -1.265 . . . . 0.0 108.897 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -62.66 -12.69 24.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.499 -0.751 . . . . 0.0 109.352 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 109.581 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' ALA . 89.9 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' SER . . . -64.25 -20.7 66.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.868 . . . . 0.0 109.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.4 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.68 -49.92 55.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 109.236 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.09 -50.48 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.2 m -57.36 -52.62 64.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.128 -0.982 . . . . 0.0 109.803 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.48 -29.93 62.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.404 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.98 93.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.0 109.485 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.99 -50.6 40.06 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -0.931 . . . . 0.0 108.64 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -58.72 -36.27 74.01 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.088 -1.008 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.25 -30.49 71.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.463 -0.773 . . . . 0.0 109.556 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.54 77.28 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.185 -0.947 . . . . 0.0 109.936 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.27 -32.01 73.45 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.19 -39.74 88.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.11 -33.01 59.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.407 -1.055 . . . . 0.0 109.54 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -45.97 78.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.27 -0.893 . . . . 0.0 109.279 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.39 -36.12 82.65 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.71 -44.55 93.67 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.488 -0.758 . . . . 0.0 109.247 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 27.3 mt-30 -70.61 -34.95 72.67 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -60.0 -51.42 69.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.518 -0.739 . . . . 0.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -72.12 -24.0 61.41 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -57.77 -51.13 70.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 110.529 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 57.5 p-90 -93.2 -24.75 18.1 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.94 -1.1 . . . . 0.0 109.808 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -87.12 56.21 3.9 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.967 -1.083 . . . . 0.0 108.68 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -164.75 -36.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.184 -0.948 . . . . 0.0 109.101 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.866 . . . . 0.0 109.407 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.1 67.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.85 . . . . 0.0 109.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.75 99.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.37 -0.831 . . . . 0.0 109.478 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -67.82 -44.52 77.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.271 -0.893 . . . . 0.0 109.363 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -65.43 -40.24 93.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.0 109.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -65.69 -52.64 49.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.38 -0.825 . . . . 0.0 109.337 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -29.13 67.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.598 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.86 82.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 0.0 109.45 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.75 -47.5 62.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 109.527 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.66 -35.94 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.063 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -66.67 -30.7 71.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.375 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.99 89.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.532 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.53 -31.91 73.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 108.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.54 -39.51 86.77 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.08 -32.6 59.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.396 -1.061 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.34 -45.68 86.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.324 -0.86 . . . . 0.0 108.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.51 -37.79 88.66 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -59.64 -38.27 80.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 88.9 mt-30 -75.4 -37.64 60.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.56 -48.03 83.23 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.819 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -73.56 -23.82 60.02 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.078 -1.014 . . . . 0.0 109.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.3 ttp -61.98 -50.88 70.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.136 -0.977 . . . . 0.0 111.266 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 58.0 p-90 -94.52 -15.15 24.4 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.921 -1.112 . . . . 0.0 110.905 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -85.14 -37.32 20.34 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.65 -1.281 . . . . 0.0 108.461 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -78.19 45.59 0.55 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.081 -1.012 . . . . 0.0 109.249 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -21.94 62.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.6 76.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -0.902 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.55 96.16 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.426 -0.796 . . . . 0.0 109.373 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.7 mm? -69.46 -35.97 76.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.219 -0.926 . . . . 0.0 108.577 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.9 m -60.09 -52.57 64.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.385 -0.822 . . . . 0.0 109.482 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.902 . . . . 0.0 109.75 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.04 -32.23 53.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.105 -0.997 . . . . 0.0 109.903 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.15 -44.25 60.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.26 -0.9 . . . . 0.0 108.731 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.76 -38.33 90.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.059 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.99 -24.56 64.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.211 -0.931 . . . . 0.0 108.667 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.66 79.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.157 -0.965 . . . . 0.0 109.777 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.12 -32.15 73.71 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.68 99.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 20.0 t70 -75.95 -32.17 59.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.409 -1.054 . . . . 0.0 108.504 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.76 -45.37 89.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.052 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.55 -33.17 72.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.715 -0.615 . . . . 0.0 109.608 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -55.07 -50.08 70.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.452 -0.78 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 3.2 mp0 -66.84 -33.42 75.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.089 -1.007 . . . . 0.0 108.811 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -63.89 -50.65 67.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.87 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.7 t -72.21 -24.47 61.41 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.023 -1.048 . . . . 0.0 109.879 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.39 -49.83 76.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.206 -0.934 . . . . 0.0 109.747 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CZ3' ' NH2' ' A' ' 32' ' ' ARG . 87.4 m95 -64.94 -36.6 84.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.631 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -81.85 29.08 0.4 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.131 -0.981 . . . . 0.0 109.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 29' ' ' TRP . 46.8 ttt85 -164.47 47.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.0 109.008 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' CZ3' ' A' ' 29' ' ' TRP . 51.5 ttp180 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -20.67 66.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.53 93.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 109.593 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.55 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 3.8 mp0 -63.93 -47.83 78.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 109.24 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.7 mp -65.54 -36.59 84.24 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.5 m -57.61 -52.47 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 109.707 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -32.69 66.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.76 72.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -67.97 -59.72 3.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.241 -0.912 . . . . 0.0 110.154 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.8 -30.45 69.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.14 -0.975 . . . . 0.0 110.259 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -71.9 -48.89 42.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.993 -1.067 . . . . 0.0 109.277 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -31.85 72.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 109.441 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.53 -32.2 73.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.237 -0.915 . . . . 0.0 108.906 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.09 86.24 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.25 -32.47 62.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.422 -1.046 . . . . 0.0 108.972 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.44 -37.1 84.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.415 -0.803 . . . . 0.0 108.897 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -55.88 -39.42 71.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.553 -0.717 . . . . 0.0 109.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.37 -40.37 62.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.086 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 59.9 mtp180 -59.28 -45.44 91.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 t -76.92 -24.26 52.45 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.895 -1.128 . . . . 0.0 109.864 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.84 -50.57 72.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.129 -0.982 . . . . 0.0 110.446 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 61.1 p-90 -71.2 -14.18 62.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.733 -1.23 . . . . 0.0 110.017 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -89.26 -46.17 8.98 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.048 -1.032 . . . . 0.0 108.307 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -62.8 -22.58 66.73 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.453 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.53 -20.8 65.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.466 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.86 97.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.456 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -65.04 -45.92 83.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 0.0 109.444 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.5 -33.41 75.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.158 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -66.54 -52.54 44.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.04 -29.23 68.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 109.526 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.79 84.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.351 -0.843 . . . . 0.0 109.259 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -68.85 -50.95 45.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.29 -0.881 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.31 -35.51 75.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.302 -0.874 . . . . 0.0 109.047 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.49 -28.72 69.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.18 76.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 0.0 109.651 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.42 -32.47 74.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.99 88.95 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.06 -33.88 59.59 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.409 -1.054 . . . . 0.0 109.226 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.395 -0.815 . . . . 0.0 109.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.51 -30.28 70.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -0.833 . . . . 0.0 109.093 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -61.2 -51.25 69.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.8 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.64 -32.97 74.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.409 -0.807 . . . . 0.0 108.975 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -58.52 -51.48 69.68 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.56 -0.713 . . . . 0.0 109.991 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -66.29 -29.98 70.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 111.232 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 mtm -56.35 -51.26 68.92 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.879 -1.138 . . . . 0.0 110.089 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -94.97 -22.49 17.93 Favored 'General case' 0 N--CA 1.512 2.633 0 O-C-N 121.097 -1.002 . . . . 0.0 110.504 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -90.67 45.36 1.25 Allowed 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.892 -1.13 . . . . 0.0 108.927 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -162.17 -21.32 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.04 -1.038 . . . . 0.0 109.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.868 . . . . 0.0 109.497 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.95 -20.59 65.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.427 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.95 94.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.07 -47.95 66.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 109.393 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.55 -34.59 78.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 109.197 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -66.05 -52.55 48.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.487 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.22 67.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.36 -0.838 . . . . 0.0 109.682 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.99 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.377 -0.827 . . . . 0.0 109.251 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -66.79 -51.83 51.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.845 . . . . 0.0 109.365 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.67 -34.33 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.283 -0.885 . . . . 0.0 109.163 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -32.6 72.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.542 -0.724 . . . . 0.0 109.273 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.7 81.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.197 -0.939 . . . . 0.0 109.875 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.97 -31.98 73.47 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.2 99.53 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -75.86 -32.04 59.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -1.067 . . . . 0.0 108.701 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.79 -45.89 92.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.415 -0.803 . . . . 0.0 108.907 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.01 -36.18 79.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.522 -0.736 . . . . 0.0 109.187 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -55.08 -41.62 71.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.426 -0.796 . . . . 0.0 109.918 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.13 -40.07 71.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.904 . . . . 0.0 109.268 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -59.63 -48.99 79.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.908 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.598 ' HG1' ' NH2' ' A' ' 31' ' ' ARG . 8.9 t -72.98 -24.07 60.72 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.036 -1.04 . . . . 0.0 109.892 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.2 ttp -57.47 -51.14 70.66 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.378 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -93.01 -25.1 18.11 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.009 -1.057 . . . . 0.0 109.905 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -87.07 44.91 1.21 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.049 -1.032 . . . . 0.0 109.001 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.598 ' NH2' ' HG1' ' A' ' 27' ' ' THR . 39.8 ttm180 -155.69 -38.01 0.08 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.187 -0.946 . . . . 0.0 108.768 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.333 -0.855 . . . . 0.0 109.439 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.05 65.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.346 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.38 -50.9 63.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' CD ' ' N ' ' A' ' 10' ' ' GLN . 4.6 mp0 -62.38 -45.91 91.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 108.993 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.31 -47.46 85.94 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -57.6 -52.52 65.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.155 -0.965 . . . . 0.0 109.815 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -28.62 62.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.42 -0.8 . . . . 0.0 110.482 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.42 80.33 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 110.857 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -90.26 -30.96 17.2 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.889 -1.132 . . . . 0.0 109.909 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.11 -44.3 54.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.62 -41.94 87.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 109.369 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.27 82.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.592 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.66 -31.95 73.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 108.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.04 -27.97 72.94 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -36.39 66.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.468 -1.019 . . . . 0.0 109.276 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.45 -46.41 69.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.71 -29.04 70.31 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -68.85 -38.87 80.07 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.614 -0.679 . . . . 0.0 109.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.35 -40.13 58.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 108.947 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.65 -47.07 87.05 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.489 -0.757 . . . . 0.0 110.044 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -71.36 -23.77 61.96 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.933 -1.104 . . . . 0.0 109.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -61.3 -50.89 71.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 111.119 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -97.06 -14.41 21.6 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.019 -1.051 . . . . 0.0 111.065 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -84.68 -35.91 22.25 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.701 -1.249 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -63.7 -54.58 33.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.536 -0.728 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.613 ' HG ' ' H ' ' A' ' 8' ' ' ALA . 88.8 p . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.613 ' H ' ' HG ' ' A' ' 7' ' ' SER . . . -61.53 -20.84 63.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.534 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.42 84.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.76 -48.45 63.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.86 -39.53 72.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.271 -0.893 . . . . 0.0 108.776 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -64.04 -52.56 58.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.325 -0.859 . . . . 0.0 109.554 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.15 68.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.334 -0.853 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.54 78.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -71.31 -47.99 53.27 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.219 -0.925 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.82 -37.0 85.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.327 -0.858 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -61.82 -36.87 82.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 109.224 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.66 74.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.271 -0.893 . . . . 0.0 109.531 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -65.15 -31.74 73.09 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -41.36 99.59 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.51 -31.57 57.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.216 -1.167 . . . . 0.0 108.941 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.76 -48.3 80.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.571 -0.706 . . . . 0.0 110.731 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.64 -28.14 60.74 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.996 -1.065 . . . . 0.0 109.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -60.34 -42.81 96.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.288 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -70.72 -34.32 71.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -0.936 . . . . 0.0 108.775 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -56.62 -45.8 81.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.767 . . . . 0.0 109.937 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -72.9 -25.76 61.18 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.996 -1.065 . . . . 0.0 109.369 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ARG . 13.1 tmm? -68.9 -47.84 64.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.82 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -61.93 -19.71 63.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.178 -0.951 . . . . 0.0 109.805 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -93.71 -48.96 6.08 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.19 -54.8 12.94 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 109.266 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.63 65.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.511 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.42 98.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 109.452 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -65.7 -50.42 64.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.399 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -50.19 73.77 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -55.46 -52.43 63.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.103 -0.998 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.21 71.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.136 -0.978 . . . . 0.0 110.331 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.33 -31.52 65.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.67 -60.67 3.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.422 -0.798 . . . . 0.0 109.876 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.33 -25.12 68.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 109.873 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.94 -41.43 86.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.932 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.41 -42.62 82.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.887 . . . . 0.0 109.831 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.16 -28.57 69.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 0.0 108.796 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.33 -41.9 90.77 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -76.85 -32.03 57.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.341 -1.094 . . . . 0.0 109.643 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.19 -47.43 85.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.364 -0.835 . . . . 0.0 110.572 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.15 -27.96 61.09 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.932 -1.105 . . . . 0.0 109.175 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -60.74 -47.3 86.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.835 . . . . 0.0 109.5 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 24.9 mt-30 -68.14 -31.42 70.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -59.42 -46.03 89.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.304 -0.872 . . . . 0.0 109.623 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -74.97 -24.4 58.44 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.044 -1.035 . . . . 0.0 109.651 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 ttp -59.47 -50.68 72.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 110.971 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 59.9 p-90 -96.1 -15.09 22.38 Favored 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.957 -1.089 . . . . 0.0 111.123 -178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -87.38 -36.54 17.72 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.575 -1.328 . . . . 0.0 109.081 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.18 -56.89 9.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.452 -0.78 . . . . 0.0 109.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.263 0.554 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.19 68.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.0 109.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.17 99.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 109.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.09 -51.25 62.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.293 -0.88 . . . . 0.0 109.418 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.8 -39.28 93.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.3 m -62.18 -52.47 63.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.356 -0.84 . . . . 0.0 109.599 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.25 66.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.403 -0.811 . . . . 0.0 109.985 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.69 81.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -45.65 69.15 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.95 -36.28 83.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.171 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -62.93 -36.55 83.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 0.0 108.848 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.02 68.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.33 -0.856 . . . . 0.0 109.553 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.48 -32.08 73.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.89 . . . . 0.0 108.926 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -38.87 87.13 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.74 -32.37 59.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -1.036 . . . . 0.0 109.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.56 88.32 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 108.979 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.33 -36.12 83.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 108.99 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.87 -45.31 86.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.512 -0.742 . . . . 0.0 109.664 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -70.7 -35.1 72.59 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 71.7 ttt180 -59.1 -51.03 71.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -74.41 -23.89 59.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.101 -1.0 . . . . 0.0 110.005 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -55.75 -50.67 69.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 110.678 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 53.9 p-90 -73.08 -24.36 60.65 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.726 -1.234 . . . . 0.0 110.253 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -84.82 -34.41 22.72 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.907 -1.12 . . . . 0.0 108.726 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -67.59 -38.15 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 121.193 0.521 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -21.73 62.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.957 -1.089 . . . . 0.0 109.344 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.03 -51.0 14.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.328 -0.857 . . . . 0.0 110.368 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.2 -33.65 75.95 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.856 -1.153 . . . . 0.0 109.556 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.87 -28.31 68.86 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -52.76 27.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.347 -0.845 . . . . 0.0 109.663 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -29.15 66.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 109.718 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.99 85.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.864 . . . . 0.0 109.487 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.95 -49.43 51.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.233 -0.917 . . . . 0.0 109.531 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.22 -37.24 86.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.366 -0.834 . . . . 0.0 109.08 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.4 -35.63 79.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 0.0 109.102 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.29 29.64 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.5 -32.07 73.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 108.765 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -29.2 74.39 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.78 -35.62 67.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -1.053 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -70.47 -46.68 63.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.899 . . . . 0.0 109.306 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.19 -29.02 70.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.16 -41.32 77.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.65 -0.656 . . . . 0.0 109.269 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.26 -38.3 66.0 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.194 -0.941 . . . . 0.0 109.198 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -63.97 -47.38 80.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.0 110.004 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -71.6 -26.04 62.42 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.854 -1.154 . . . . 0.0 109.5 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.42 ' SD ' ' NH2' ' A' ' 32' ' ' ARG . 13.8 tmm? -59.14 -39.85 83.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.65 -3.34 33.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.078 -1.014 . . . . 0.0 109.721 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -127.72 44.81 2.86 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.422 -0.799 . . . . 0.0 109.691 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.63 -8.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 108.968 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' SD ' ' A' ' 28' ' ' MET . 41.4 ttm180 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.389 -0.819 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -21.11 66.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.39 98.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.376 -0.828 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.21 -40.2 95.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.08 -40.85 74.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.921 . . . . 0.0 108.561 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 m -57.79 -52.45 65.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 109.968 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.71 70.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.958 -1.089 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.08 70.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.46 -59.74 3.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 109.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.75 -39.49 93.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.315 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -62.77 -34.02 76.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.24 77.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.301 -0.874 . . . . 0.0 109.419 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.34 -31.9 73.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 108.6 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.67 98.33 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 71.6 m-20 -74.51 -32.21 62.43 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.485 -1.009 . . . . 0.0 108.49 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.01 -45.48 83.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 109.107 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.87 -33.73 74.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.785 -0.572 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -55.18 -51.92 64.98 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 109.806 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 2.0 mp0 -59.5 -45.09 92.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.934 . . . . 0.0 108.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.87 -51.39 66.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.078 -1.014 . . . . 0.0 110.909 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -75.16 -24.0 57.85 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.768 -1.208 . . . . 0.0 110.431 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.2 ttp -57.42 -50.6 72.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.145 -0.972 . . . . 0.0 111.058 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -86.98 -17.98 31.78 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.589 -1.32 . . . . 0.0 111.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -83.7 -31.75 25.91 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.626 -1.297 . . . . 0.0 108.855 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.19 -42.66 96.57 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.525 -0.734 . . . . 0.0 109.398 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.855 . . . . 0.0 109.407 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 3' ' ' GLY . 72.2 ttt180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.6 mt 59.46 -79.73 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 0.0 109.741 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' ARG . . . -176.78 43.18 0.1 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.5 tp -64.46 79.01 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -1.115 . . . . 0.0 108.911 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' SER . 44.3 ttp180 -168.88 154.61 6.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.31 -0.869 . . . . 0.0 109.324 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 8' ' ' ALA . 47.4 t 53.02 -87.18 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.6 -0.687 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ARG . 44.0 t -56.92 -9.71 0.89 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.081 -1.012 . . . . 0.0 109.703 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 6' ' ' SER . . . -67.98 -35.33 78.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.422 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.62 96.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 109.58 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.08 -51.92 53.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.79 -42.15 97.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 0.0 108.894 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -59.94 -52.69 64.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.312 -0.867 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.11 74.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -34.14 69.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.74 -44.71 69.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 108.833 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.74 -35.89 79.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.417 -0.802 . . . . 0.0 108.935 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -67.98 -25.8 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.98 69.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.155 -0.966 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.04 -32.02 73.53 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.93 -41.64 98.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -76.03 -32.17 59.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.394 -1.062 . . . . 0.0 108.843 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.8 -45.88 90.95 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.454 -0.779 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.03 -37.86 86.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.633 -0.667 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -56.13 -46.44 79.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.585 -0.697 . . . . 0.0 110.109 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -72.13 -35.45 69.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.065 -1.022 . . . . 0.0 108.586 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.91 -49.45 77.77 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.45 -0.781 . . . . 0.0 109.934 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 31' ' ' ARG . 9.0 t -74.55 -23.58 58.81 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.112 -0.992 . . . . 0.0 110.023 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.5 ttp -59.78 -50.95 71.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.224 -0.922 . . . . 0.0 111.47 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -86.59 -10.58 53.61 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.576 -1.328 . . . . 0.0 111.158 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -86.88 -42.29 13.33 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.627 -1.295 . . . . 0.0 108.31 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' NE ' ' OG1' ' A' ' 27' ' ' THR . 99.4 mtt180 -66.65 -19.44 65.77 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -60.15 104.0 0.27 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 0.0 109.351 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.4 mt -65.4 160.84 21.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 0.0 109.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.42 163.06 0.45 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.27 72.58 0.49 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.301 -1.117 . . . . 0.0 109.628 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -169.04 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.215 -0.928 . . . . 0.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -63.24 -48.82 76.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.83 . . . . 0.0 109.499 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -64.21 -38.28 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.503 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.46 76.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 109.455 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -51.14 69.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 0.0 109.636 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.48 -44.7 90.2 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.478 -0.764 . . . . 0.0 109.526 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.93 -42.1 99.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -57.34 -52.2 66.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.688 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -35.07 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.0 110.094 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.73 73.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.894 . . . . 0.0 109.822 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.58 -58.55 4.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 110.16 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.11 -30.92 69.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.067 -1.021 . . . . 0.0 110.207 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.49 -33.52 72.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.09 -1.006 . . . . 0.0 109.142 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.35 60.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.322 -0.861 . . . . 0.0 109.289 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -65.58 -32.06 73.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.383 -0.823 . . . . 0.0 108.826 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -29.08 69.77 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.86 -33.7 60.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.534 -0.98 . . . . 0.0 109.123 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -70.17 -46.12 65.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.91 -30.94 71.93 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -65.5 -44.59 86.55 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.573 -0.704 . . . . 0.0 109.114 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 11.1 tt0 -65.76 -39.9 91.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.47 -0.769 . . . . 0.0 109.39 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -63.8 -50.77 67.66 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -65.66 -24.07 66.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.11 -50.88 70.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.064 -1.022 . . . . 0.0 110.931 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 64.2 p-90 -98.61 -12.61 20.95 Favored 'General case' 0 N--CA 1.513 2.691 0 O-C-N 121.048 -1.032 . . . . 0.0 110.872 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -87.77 -38.51 15.7 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.644 -1.285 . . . . 0.0 109.044 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -66.38 -37.74 85.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.507 -0.745 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 -61.49 -27.59 68.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.424 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 3' ' ' GLY . 72.5 ttt180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.408 ' H ' ' H1 ' ' A' ' 1' ' ' ARG . 3.0 pp -62.38 -4.97 2.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 1' ' ' ARG . . . -176.71 142.01 5.7 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.33 -34.62 78.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 0.0 109.25 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 56.43 48.25 17.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.301 -0.875 . . . . 0.0 109.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -77.66 -82.73 0.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.127 -0.983 . . . . 0.0 109.639 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.3 m -60.07 -35.75 75.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.853 . . . . 0.0 109.782 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -24.48 51.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -0.946 . . . . 0.0 109.799 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.84 59.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.07 -50.83 72.08 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.527 -0.733 . . . . 0.0 110.099 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.95 -36.24 78.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.299 -0.876 . . . . 0.0 108.777 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -64.11 -52.55 58.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.06 68.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 109.709 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.75 79.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -71.18 -48.73 49.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.253 -0.904 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.95 -37.96 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.56 -32.54 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.331 -0.856 . . . . 0.0 109.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.23 -57.11 5.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.333 -0.855 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.53 -32.12 73.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 108.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.3 -26.38 71.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.22 -1.552 . . . . 0.0 109.22 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.69 -36.76 62.76 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.43 -1.041 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.71 -46.38 66.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.71 -34.87 76.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -59.8 -51.46 69.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.648 -0.657 . . . . 0.0 109.426 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.16 -44.42 95.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 109.446 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 58.2 mtp180 -57.39 -48.97 77.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.651 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -76.94 -23.92 52.39 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.641 -1.287 . . . . 0.0 110.194 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.63 -50.55 71.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -0.945 . . . . 0.0 110.532 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 51.8 p-90 -70.95 -23.25 62.19 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.713 -1.242 . . . . 0.0 109.98 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.15 -31.42 25.2 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.979 -1.075 . . . . 0.0 108.612 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -65.9 -45.92 80.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.531 -0.731 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.99 138.58 58.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.827 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.3 mp -63.92 -173.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.69 37.67 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.91 -37.46 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.263 -1.139 . . . . 0.0 108.376 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 52.97 -174.93 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.476 -0.765 . . . . 0.0 110.082 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 58.43 111.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.75 -0.594 . . . . 0.0 110.171 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t 68.46 -48.56 0.55 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.62 -0.675 . . . . 0.0 109.719 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.73 66.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.898 . . . . 0.0 109.26 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.34 98.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -64.25 -35.35 80.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.338 -0.851 . . . . 0.0 109.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.1 -36.0 82.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.838 . . . . 0.0 108.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.8 m -61.19 -52.8 63.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 109.758 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.71 76.74 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.159 -0.963 . . . . 0.0 110.069 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.29 70.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.351 -0.843 . . . . 0.0 109.216 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -66.24 -58.36 5.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.788 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.74 -38.64 91.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.317 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -65.56 -29.89 70.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.334 -0.854 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.78 80.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 109.663 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.21 -32.0 73.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.0 108.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.73 93.93 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -76.28 -32.59 58.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.368 -1.077 . . . . 0.0 109.342 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.57 -45.6 86.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.408 -0.808 . . . . 0.0 109.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.23 -31.54 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.002 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.41 -43.92 98.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.434 -0.791 . . . . 0.0 109.124 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.79 -44.36 96.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -0.839 . . . . 0.0 109.059 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.93 -51.34 69.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.399 -0.813 . . . . 0.0 109.44 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.5 p -65.7 -24.33 66.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -0.844 . . . . 0.0 110.14 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.55 -50.39 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -99.97 -12.22 19.96 Favored 'General case' 0 N--CA 1.513 2.717 0 O-C-N 121.214 -0.929 . . . . 0.0 110.953 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -88.93 -39.3 13.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.585 -1.322 . . . . 0.0 109.179 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -62.73 -38.58 91.06 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.44 -0.788 . . . . 0.0 109.611 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -61.06 138.7 58.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.359 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -166.85 98.74 0.55 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.204 -0.935 . . . . 0.0 108.532 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.18 159.07 44.71 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.38 174.24 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.413 -1.051 . . . . 0.0 109.732 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -170.67 33.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.368 -0.832 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -171.55 -54.51 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.314 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -62.24 -16.17 51.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.321 -0.862 . . . . 0.0 109.416 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.24 69.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 0.0 109.407 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.25 92.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.321 -0.862 . . . . 0.0 109.458 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.02 -51.77 65.47 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.568 -0.707 . . . . 0.0 109.59 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.96 -34.66 78.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.0 m -58.77 -52.73 64.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.31 -0.869 . . . . 0.0 109.692 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.25 66.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.033 -1.042 . . . . 0.0 110.298 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.31 64.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.073 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.76 -51.33 67.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.506 -0.746 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.04 -36.04 78.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.269 -0.895 . . . . 0.0 108.749 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.27 -24.75 62.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.13 70.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.24 -0.912 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.2 -30.86 71.79 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.68 -38.99 97.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -75.87 -34.32 60.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.344 -1.092 . . . . 0.0 109.286 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -66.56 -45.8 78.14 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 108.772 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.57 -34.28 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -59.84 -41.22 90.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.31 -40.57 86.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.748 . . . . 0.0 109.053 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -60.6 -48.12 83.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 108.876 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.1 p -71.52 -24.47 61.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -60.61 -50.44 73.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.136 -0.977 . . . . 0.0 110.87 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -96.09 -14.35 22.94 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 121.009 -1.057 . . . . 0.0 110.942 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.695 -1.253 . . . . 0.0 109.368 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -64.94 -54.85 24.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.451 -0.78 . . . . 0.0 109.596 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -59.9 126.78 28.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.303 -0.873 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 4' ' ' LEU . 22.8 tp -170.19 127.13 0.83 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.62 0.88 9.14 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 2.6 mm? 52.95 16.79 0.76 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.578 -0.954 . . . . 0.0 109.303 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -68.1 67.88 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.274 -0.891 . . . . 0.0 109.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 4' ' ' LEU . 24.9 t -171.71 -36.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.889 . . . . 0.0 109.394 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.1 t -64.31 -31.18 72.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 0.0 109.447 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.85 65.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.797 . . . . 0.0 109.474 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.68 92.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.571 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -66.71 -49.42 66.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.342 -0.849 . . . . 0.0 109.513 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.8 mp -63.62 -48.1 78.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.913 . . . . 0.0 108.563 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -55.37 -52.36 63.78 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.26 -0.9 . . . . 0.0 110.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.19 61.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.281 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.35 77.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -67.08 -47.41 71.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.209 -0.932 . . . . 0.0 108.905 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.66 -36.98 83.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.397 -0.814 . . . . 0.0 109.006 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.19 -32.92 74.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.317 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.43 76.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.0 109.556 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.55 74.08 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.22 68.38 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 -31.96 61.79 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.494 -1.003 . . . . 0.0 109.07 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.04 -45.64 93.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.65 -37.76 85.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -56.65 -37.18 70.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.505 -0.747 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 10.1 tt0 -74.68 -39.71 61.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.877 . . . . 0.0 109.248 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.05 -48.25 82.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.3 -0.875 . . . . 0.0 109.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -70.85 -24.05 62.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.971 -1.081 . . . . 0.0 109.828 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.18 -50.68 72.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.272 -0.892 . . . . 0.0 110.916 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 62.1 p-90 -97.91 -14.19 20.8 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.03 -1.044 . . . . 0.0 111.002 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.12 -37.91 16.95 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.69 -1.256 . . . . 0.0 108.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' C ' ' HN1' ' A' ' 33' ' ' NH2 . 68.0 ttp85 -63.97 -45.77 87.64 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.394 -0.816 . . . . 0.0 109.468 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -68.77 43.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.873 . . . . 0.0 109.511 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . 0.451 ' HN1' ' C ' ' A' ' 31' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.889 -1.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.663 ' H3 ' HH21 ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tt -167.13 110.66 0.7 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.245 -0.91 . . . . 0.0 108.569 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 5' ' ' ARG . . . 176.7 150.64 8.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.62 60.64 0.15 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.226 -1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.663 HH21 ' H3 ' ' A' ' 1' ' ' ARG . 44.7 mtt-85 -65.82 -141.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' ALA . 12.8 m 55.7 171.02 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.331 -0.855 . . . . 0.0 109.725 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.5 m 52.09 -88.86 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.373 -0.829 . . . . 0.0 110.242 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -57.32 -20.42 28.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.183 -0.948 . . . . 0.0 109.768 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.31 82.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 109.765 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -64.72 -40.9 96.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.444 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -71.15 -29.78 65.64 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -64.34 -52.5 58.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.352 -0.843 . . . . 0.0 109.484 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.46 68.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.681 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.87 79.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.46 -44.55 70.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.27 -35.23 80.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.36 -33.0 74.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.433 -0.792 . . . . 0.0 109.374 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.39 76.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 109.709 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -31.95 73.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.906 . . . . 0.0 108.765 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.82 -40.13 93.63 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.99 -33.22 59.72 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.327 -1.102 . . . . 0.0 109.327 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.54 -46.05 81.06 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.81 -37.14 86.62 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -58.23 -36.83 73.76 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.428 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.18 -40.22 59.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.355 -0.84 . . . . 0.0 109.198 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.843 . . . . 0.0 109.72 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -74.11 -23.91 59.38 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.976 -1.077 . . . . 0.0 109.939 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -60.48 -50.78 72.2 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -92.3 -17.4 24.8 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.814 -1.179 . . . . 0.0 111.07 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -83.78 -38.57 21.13 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.719 -1.238 . . . . 0.0 108.776 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -64.72 -38.59 91.52 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.517 -0.74 . . . . 0.0 109.352 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -63.06 103.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -165.95 16.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.323 -0.86 . . . . 0.0 109.01 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 5' ' ' ARG . . . -63.32 -4.36 8.58 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER 68.08 -59.65 0.43 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.774 -0.839 . . . . 0.0 108.979 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLY . 96.6 mtt180 51.82 179.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.232 -0.918 . . . . 0.0 110.625 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -170.77 -78.09 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.162 -0.961 . . . . 0.0 109.515 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -66.33 -31.03 71.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.304 -0.872 . . . . 0.0 109.519 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.56 72.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.563 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -59.76 -47.19 86.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.182 -0.949 . . . . 0.0 108.989 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.09 -37.41 87.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -63.45 -52.46 61.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 109.496 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.2 69.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.377 -0.827 . . . . 0.0 109.759 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -71.54 -46.83 58.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.195 -0.941 . . . . 0.0 109.387 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.59 -37.75 87.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.19 -32.38 72.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.94 71.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.366 -0.834 . . . . 0.0 109.625 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.24 -28.4 69.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.293 -0.879 . . . . 0.0 108.881 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.09 -30.03 69.54 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.03 -36.04 59.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.581 -0.953 . . . . 0.0 109.258 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.52 -47.35 70.19 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 108.746 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -31.18 71.44 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -64.92 -47.98 75.76 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.44 -0.787 . . . . 0.0 109.334 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 26.8 mt-30 -65.42 -41.26 93.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.857 . . . . 0.0 109.349 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.81 -48.36 80.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.0 109.089 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.1 p -69.26 -24.25 63.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.352 -0.842 . . . . 0.0 109.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.76 -50.62 71.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.905 . . . . 0.0 110.995 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 60.8 p-90 -97.74 -12.56 22.16 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.103 -0.998 . . . . 0.0 110.876 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -88.31 -41.96 12.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.676 -1.265 . . . . 0.0 108.897 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -62.66 -12.69 24.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.499 -0.751 . . . . 0.0 109.352 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -57.89 127.33 31.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 109.581 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.2 mp -62.53 -73.49 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.35 -95.57 0.1 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.59 146.85 54.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.375 -1.074 . . . . 0.0 109.206 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -168.97 -21.52 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -62.55 -43.66 98.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.416 -0.802 . . . . 0.0 109.49 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' ALA . 89.9 p -64.82 -31.89 73.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.351 -0.843 . . . . 0.0 109.497 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' SER . . . -64.25 -20.7 66.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.868 . . . . 0.0 109.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.4 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.68 -49.92 55.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 109.236 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.09 -50.48 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.2 m -57.36 -52.62 64.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.128 -0.982 . . . . 0.0 109.803 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.48 -29.93 62.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.404 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.98 93.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.0 109.485 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.99 -50.6 40.06 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -0.931 . . . . 0.0 108.64 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -58.72 -36.27 74.01 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.088 -1.008 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.25 -30.49 71.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.463 -0.773 . . . . 0.0 109.556 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.54 77.28 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.185 -0.947 . . . . 0.0 109.936 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.27 -32.01 73.45 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.19 -39.74 88.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.11 -33.01 59.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.407 -1.055 . . . . 0.0 109.54 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -45.97 78.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.27 -0.893 . . . . 0.0 109.279 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.39 -36.12 82.65 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.71 -44.55 93.67 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.488 -0.758 . . . . 0.0 109.247 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 27.3 mt-30 -70.61 -34.95 72.67 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -60.0 -51.42 69.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.518 -0.739 . . . . 0.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -72.12 -24.0 61.41 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -57.77 -51.13 70.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 110.529 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 57.5 p-90 -93.2 -24.75 18.1 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.94 -1.1 . . . . 0.0 109.808 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -87.12 56.21 3.9 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.967 -1.083 . . . . 0.0 108.68 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -164.75 -36.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.184 -0.948 . . . . 0.0 109.101 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -62.01 131.27 49.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.866 . . . . 0.0 109.407 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.767 -1.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' CD ' ' N ' ' A' ' 1' ' ' ARG . 10.5 mpt_? . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.532 ' CD2' ' H ' ' A' ' 3' ' ' GLY . 0.5 OUTLIER -167.8 -154.47 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 2' ' ' LEU . . . -74.57 46.65 1.68 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.46 142.0 55.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.286 -1.126 . . . . 0.0 108.287 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -60.99 140.67 57.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 t -171.63 -74.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -64.87 -22.41 66.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.1 67.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.85 . . . . 0.0 109.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.75 99.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.37 -0.831 . . . . 0.0 109.478 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -67.82 -44.52 77.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.271 -0.893 . . . . 0.0 109.363 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -65.43 -40.24 93.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.0 109.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -65.69 -52.64 49.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.38 -0.825 . . . . 0.0 109.337 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -29.13 67.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.598 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.86 82.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 0.0 109.45 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.75 -47.5 62.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 109.527 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.66 -35.94 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.063 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -66.67 -30.7 71.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.375 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.99 89.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.532 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.53 -31.91 73.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 108.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.54 -39.51 86.77 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.08 -32.6 59.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.396 -1.061 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.34 -45.68 86.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.324 -0.86 . . . . 0.0 108.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.51 -37.79 88.66 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -59.64 -38.27 80.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 88.9 mt-30 -75.4 -37.64 60.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.56 -48.03 83.23 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.819 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -73.56 -23.82 60.02 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.078 -1.014 . . . . 0.0 109.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.3 ttp -61.98 -50.88 70.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.136 -0.977 . . . . 0.0 111.266 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 58.0 p-90 -94.52 -15.15 24.4 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.921 -1.112 . . . . 0.0 110.905 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -85.14 -37.32 20.34 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.65 -1.281 . . . . 0.0 108.461 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -78.19 45.59 0.55 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -167.89 92.84 0.37 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.081 -1.012 . . . . 0.0 109.249 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.419 0 O-C-N 119.925 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.562 ' N ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.4 tp -169.94 135.9 1.45 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.27 -0.894 . . . . 0.0 108.668 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.39 -144.69 41.21 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.76 86.17 0.08 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.283 -1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -65.6 95.62 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -171.55 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.318 -0.864 . . . . 0.0 109.499 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p -60.96 -34.14 74.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.466 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -21.94 62.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.6 76.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -0.902 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.55 96.16 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.426 -0.796 . . . . 0.0 109.373 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.7 mm? -69.46 -35.97 76.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.219 -0.926 . . . . 0.0 108.577 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.9 m -60.09 -52.57 64.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.385 -0.822 . . . . 0.0 109.482 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.902 . . . . 0.0 109.75 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.04 -32.23 53.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.105 -0.997 . . . . 0.0 109.903 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.15 -44.25 60.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.26 -0.9 . . . . 0.0 108.731 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.76 -38.33 90.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.059 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.99 -24.56 64.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.211 -0.931 . . . . 0.0 108.667 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.66 79.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.157 -0.965 . . . . 0.0 109.777 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.12 -32.15 73.71 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.68 99.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 20.0 t70 -75.95 -32.17 59.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.409 -1.054 . . . . 0.0 108.504 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.76 -45.37 89.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.052 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.55 -33.17 72.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.715 -0.615 . . . . 0.0 109.608 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -55.07 -50.08 70.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.452 -0.78 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 3.2 mp0 -66.84 -33.42 75.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.089 -1.007 . . . . 0.0 108.811 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -63.89 -50.65 67.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.87 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.7 t -72.21 -24.47 61.41 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.023 -1.048 . . . . 0.0 109.879 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.39 -49.83 76.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.206 -0.934 . . . . 0.0 109.747 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CZ3' ' NH2' ' A' ' 32' ' ' ARG . 87.4 m95 -64.94 -36.6 84.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.631 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -81.85 29.08 0.4 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.131 -0.981 . . . . 0.0 109.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 29' ' ' TRP . 46.8 ttt85 -164.47 47.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.0 109.008 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' CZ3' ' A' ' 29' ' ' TRP . 51.5 ttp180 -169.4 92.82 0.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.248 0.547 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.65 -32.27 73.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.868 . . . . 0.0 109.093 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.06 -168.43 15.05 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp 53.07 50.56 17.59 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.488 -1.007 . . . . 0.0 109.186 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' SER . 41.4 ttm180 -66.19 -34.87 79.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.184 -0.947 . . . . 0.0 109.386 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -66.6 72.79 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.0 109.493 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ARG . 59.7 p -170.2 -59.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.354 -0.841 . . . . 0.0 109.396 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -20.67 66.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.53 93.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 109.593 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.55 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 3.8 mp0 -63.93 -47.83 78.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 109.24 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.7 mp -65.54 -36.59 84.24 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.5 m -57.61 -52.47 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 109.707 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -32.69 66.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.76 72.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -67.97 -59.72 3.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.241 -0.912 . . . . 0.0 110.154 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.8 -30.45 69.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.14 -0.975 . . . . 0.0 110.259 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -71.9 -48.89 42.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.993 -1.067 . . . . 0.0 109.277 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -31.85 72.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 109.441 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.53 -32.2 73.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.237 -0.915 . . . . 0.0 108.906 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.09 86.24 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.25 -32.47 62.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.422 -1.046 . . . . 0.0 108.972 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.44 -37.1 84.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.415 -0.803 . . . . 0.0 108.897 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -55.88 -39.42 71.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.553 -0.717 . . . . 0.0 109.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.37 -40.37 62.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.086 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 59.9 mtp180 -59.28 -45.44 91.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 t -76.92 -24.26 52.45 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.895 -1.128 . . . . 0.0 109.864 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.84 -50.57 72.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.129 -0.982 . . . . 0.0 110.446 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 61.1 p-90 -71.2 -14.18 62.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.733 -1.23 . . . . 0.0 110.017 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -89.26 -46.17 8.98 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.048 -1.032 . . . . 0.0 108.307 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -62.8 -22.58 66.73 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.67 95.81 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.453 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.95 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.4 mp -63.37 173.51 1.54 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.48 -13.3 54.7 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.52 152.88 44.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.262 -1.14 . . . . 0.0 108.257 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 7' ' ' SER . 51.8 mtp180 52.81 15.34 0.53 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 110.183 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -70.23 45.72 0.08 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 5' ' ' ARG . 24.8 t -171.6 -53.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.88 . . . . 0.0 109.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.53 -20.8 65.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.466 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.86 97.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.456 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -65.04 -45.92 83.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 0.0 109.444 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.5 -33.41 75.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.158 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -66.54 -52.54 44.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.04 -29.23 68.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 109.526 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.79 84.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.351 -0.843 . . . . 0.0 109.259 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -68.85 -50.95 45.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.29 -0.881 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.31 -35.51 75.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.302 -0.874 . . . . 0.0 109.047 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.49 -28.72 69.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.18 76.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 0.0 109.651 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.42 -32.47 74.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.99 88.95 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.06 -33.88 59.59 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.409 -1.054 . . . . 0.0 109.226 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.395 -0.815 . . . . 0.0 109.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.51 -30.28 70.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -0.833 . . . . 0.0 109.093 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -61.2 -51.25 69.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.8 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.64 -32.97 74.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.409 -0.807 . . . . 0.0 108.975 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -58.52 -51.48 69.68 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.56 -0.713 . . . . 0.0 109.991 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -66.29 -29.98 70.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 111.232 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 mtm -56.35 -51.26 68.92 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.879 -1.138 . . . . 0.0 110.089 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -94.97 -22.49 17.93 Favored 'General case' 0 N--CA 1.512 2.633 0 O-C-N 121.097 -1.002 . . . . 0.0 110.504 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -90.67 45.36 1.25 Allowed 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.892 -1.13 . . . . 0.0 108.927 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -162.17 -21.32 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.04 -1.038 . . . . 0.0 109.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -59.72 125.49 23.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.868 . . . . 0.0 109.497 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.2 mp -65.25 -80.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.0 -113.67 0.41 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.35 163.1 16.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.331 -1.099 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' SER . 41.6 ttm180 -169.04 -35.33 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 109.228 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.78 72.78 0.09 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 0.0 109.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ARG . 26.1 t -171.61 -60.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.257 -0.902 . . . . 0.0 109.422 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.95 -20.59 65.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.427 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.95 94.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.07 -47.95 66.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 109.393 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.55 -34.59 78.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 109.197 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -66.05 -52.55 48.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.487 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.22 67.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.36 -0.838 . . . . 0.0 109.682 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.99 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.377 -0.827 . . . . 0.0 109.251 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -66.79 -51.83 51.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.845 . . . . 0.0 109.365 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.67 -34.33 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.283 -0.885 . . . . 0.0 109.163 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -32.6 72.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.542 -0.724 . . . . 0.0 109.273 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.7 81.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.197 -0.939 . . . . 0.0 109.875 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.97 -31.98 73.47 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.2 99.53 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -75.86 -32.04 59.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -1.067 . . . . 0.0 108.701 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.79 -45.89 92.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.415 -0.803 . . . . 0.0 108.907 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.01 -36.18 79.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.522 -0.736 . . . . 0.0 109.187 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -55.08 -41.62 71.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.426 -0.796 . . . . 0.0 109.918 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.13 -40.07 71.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.904 . . . . 0.0 109.268 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -59.63 -48.99 79.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.908 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.598 ' HG1' ' NH2' ' A' ' 31' ' ' ARG . 8.9 t -72.98 -24.07 60.72 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.036 -1.04 . . . . 0.0 109.892 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.2 ttp -57.47 -51.14 70.66 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.378 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -93.01 -25.1 18.11 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.009 -1.057 . . . . 0.0 109.905 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -87.07 44.91 1.21 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.049 -1.032 . . . . 0.0 109.001 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.598 ' NH2' ' HG1' ' A' ' 27' ' ' THR . 39.8 ttm180 -155.69 -38.01 0.08 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.187 -0.946 . . . . 0.0 108.768 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -66.65 80.95 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.333 -0.855 . . . . 0.0 109.439 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.59 ' NE ' ' H1 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.2 mp -65.39 78.06 0.06 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ARG . . . 59.8 -157.35 26.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.439 -1.465 . . . . 0.0 109.439 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tt -165.72 40.77 0.06 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.231 -1.158 . . . . 0.0 108.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -71.83 106.56 4.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 109.395 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -165.89 43.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.282 -0.886 . . . . 0.0 109.169 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.3 t -171.5 -39.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.329 -0.857 . . . . 0.0 109.18 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.05 65.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.346 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.38 -50.9 63.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' CD ' ' N ' ' A' ' 10' ' ' GLN . 4.6 mp0 -62.38 -45.91 91.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 108.993 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.31 -47.46 85.94 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -57.6 -52.52 65.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.155 -0.965 . . . . 0.0 109.815 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -28.62 62.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.42 -0.8 . . . . 0.0 110.482 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.42 80.33 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 110.857 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -90.26 -30.96 17.2 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.889 -1.132 . . . . 0.0 109.909 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.11 -44.3 54.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.62 -41.94 87.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 109.369 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.27 82.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.592 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.66 -31.95 73.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 108.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.04 -27.97 72.94 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -36.39 66.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.468 -1.019 . . . . 0.0 109.276 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.45 -46.41 69.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.71 -29.04 70.31 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -68.85 -38.87 80.07 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.614 -0.679 . . . . 0.0 109.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.35 -40.13 58.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 108.947 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.65 -47.07 87.05 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.489 -0.757 . . . . 0.0 110.044 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -71.36 -23.77 61.96 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.933 -1.104 . . . . 0.0 109.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -61.3 -50.89 71.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 111.119 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -97.06 -14.41 21.6 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.019 -1.051 . . . . 0.0 111.065 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -84.68 -35.91 22.25 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.701 -1.249 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.457 ' C ' ' HN1' ' A' ' 33' ' ' NH2 . 54.5 ttt85 -63.7 -54.58 33.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.536 -0.728 . . . . 0.0 109.363 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.63 42.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . 0.457 ' HN1' ' C ' ' A' ' 31' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.83 126.82 29.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 109.07 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.61 135.45 2.11 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 mt 56.23 13.73 1.32 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.364 -1.08 . . . . 0.0 109.644 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' SER . 36.9 mtt-85 -147.48 -80.76 0.14 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.189 -0.944 . . . . 0.0 109.008 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 7' ' ' SER . 4.4 p 66.68 -63.07 0.27 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.782 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.613 ' HG ' ' H ' ' A' ' 8' ' ' ALA . 88.8 p -69.82 -65.5 0.71 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.073 -1.017 . . . . 0.0 109.485 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.613 ' H ' ' HG ' ' A' ' 7' ' ' SER . . . -61.53 -20.84 63.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.534 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.42 84.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.76 -48.45 63.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.86 -39.53 72.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.271 -0.893 . . . . 0.0 108.776 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -64.04 -52.56 58.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.325 -0.859 . . . . 0.0 109.554 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.15 68.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.334 -0.853 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.54 78.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -71.31 -47.99 53.27 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.219 -0.925 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.82 -37.0 85.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.327 -0.858 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -61.82 -36.87 82.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 109.224 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.66 74.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.271 -0.893 . . . . 0.0 109.531 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -65.15 -31.74 73.09 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -41.36 99.59 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.51 -31.57 57.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.216 -1.167 . . . . 0.0 108.941 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.76 -48.3 80.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.571 -0.706 . . . . 0.0 110.731 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.64 -28.14 60.74 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.996 -1.065 . . . . 0.0 109.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -60.34 -42.81 96.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.288 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -70.72 -34.32 71.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -0.936 . . . . 0.0 108.775 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -56.62 -45.8 81.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.767 . . . . 0.0 109.937 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -72.9 -25.76 61.18 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.996 -1.065 . . . . 0.0 109.369 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ARG . 13.1 tmm? -68.9 -47.84 64.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.82 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -61.93 -19.71 63.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.178 -0.951 . . . . 0.0 109.805 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -93.71 -48.96 6.08 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.19 -54.8 12.94 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER 58.44 103.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 109.266 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.63 147.45 53.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.369 -0.832 . . . . 0.0 109.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.43 -163.15 30.37 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.44 -24.25 67.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.299 -1.118 . . . . 0.0 108.979 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -62.97 -68.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 108.842 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -67.86 68.6 0.11 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 0.0 109.555 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ARG . 87.6 p -169.14 -44.15 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.241 -0.912 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.63 65.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.511 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.42 98.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 109.452 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -65.7 -50.42 64.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.399 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -50.19 73.77 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -55.46 -52.43 63.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.103 -0.998 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.21 71.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.136 -0.978 . . . . 0.0 110.331 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.33 -31.52 65.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.67 -60.67 3.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.422 -0.798 . . . . 0.0 109.876 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.33 -25.12 68.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 109.873 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.94 -41.43 86.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.932 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.41 -42.62 82.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.887 . . . . 0.0 109.831 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.16 -28.57 69.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 0.0 108.796 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.33 -41.9 90.77 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -76.85 -32.03 57.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.341 -1.094 . . . . 0.0 109.643 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.19 -47.43 85.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.364 -0.835 . . . . 0.0 110.572 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.15 -27.96 61.09 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.932 -1.105 . . . . 0.0 109.175 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -60.74 -47.3 86.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.835 . . . . 0.0 109.5 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 24.9 mt-30 -68.14 -31.42 70.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -59.42 -46.03 89.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.304 -0.872 . . . . 0.0 109.623 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -74.97 -24.4 58.44 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.044 -1.035 . . . . 0.0 109.651 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 ttp -59.47 -50.68 72.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 110.971 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 59.9 p-90 -96.1 -15.09 22.38 Favored 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.957 -1.089 . . . . 0.0 111.123 -178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -87.38 -36.54 17.72 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.575 -1.328 . . . . 0.0 109.081 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.18 -56.89 9.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.452 -0.78 . . . . 0.0 109.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -66.96 -7.31 21.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.45 -7.4 13.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.327 -0.858 . . . . 0.0 109.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.9 75.4 1.71 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 6' ' ' SER . 11.2 mp -65.4 101.06 0.53 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -1.154 . . . . 0.0 108.266 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -69.7 46.87 0.07 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.369 -0.832 . . . . 0.0 109.6 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 4' ' ' LEU . 66.5 m -165.66 -61.12 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.149 -0.969 . . . . 0.0 109.384 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 t -63.6 -31.29 72.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 109.562 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.19 68.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.0 109.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.17 99.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 109.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.09 -51.25 62.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.293 -0.88 . . . . 0.0 109.418 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.8 -39.28 93.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.3 m -62.18 -52.47 63.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.356 -0.84 . . . . 0.0 109.599 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.25 66.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.403 -0.811 . . . . 0.0 109.985 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.69 81.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -45.65 69.15 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.95 -36.28 83.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.171 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -62.93 -36.55 83.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 0.0 108.848 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.02 68.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.33 -0.856 . . . . 0.0 109.553 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.48 -32.08 73.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.89 . . . . 0.0 108.926 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -38.87 87.13 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.74 -32.37 59.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -1.036 . . . . 0.0 109.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.56 88.32 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 108.979 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.33 -36.12 83.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 108.99 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.87 -45.31 86.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.512 -0.742 . . . . 0.0 109.664 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -70.7 -35.1 72.59 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 71.7 ttt180 -59.1 -51.03 71.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -74.41 -23.89 59.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.101 -1.0 . . . . 0.0 110.005 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -55.75 -50.67 69.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 110.678 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 53.9 p-90 -73.08 -24.36 60.65 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.726 -1.234 . . . . 0.0 110.253 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -84.82 -34.41 22.72 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.907 -1.12 . . . . 0.0 108.726 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -67.59 -38.15 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -61.44 -44.39 97.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 3' ' ' GLY . 21.4 mmt180 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.95 5.91 1.03 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 1' ' ' ARG . . . -172.39 134.34 2.97 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.49 -67.26 0.53 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.241 -1.152 . . . . 0.0 109.853 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -171.03 152.79 3.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.072 -1.017 . . . . 0.0 109.656 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 8' ' ' ALA . 6.8 m 59.58 126.56 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.322 0.582 . . . . 0.0 111.052 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t 65.79 -58.86 0.31 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.193 0.521 . . . . 0.0 110.33 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -70.6 -21.73 62.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.957 -1.089 . . . . 0.0 109.344 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.03 -51.0 14.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.328 -0.857 . . . . 0.0 110.368 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.2 -33.65 75.95 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.856 -1.153 . . . . 0.0 109.556 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.87 -28.31 68.86 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -52.76 27.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.347 -0.845 . . . . 0.0 109.663 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -29.15 66.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 109.718 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.99 85.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.864 . . . . 0.0 109.487 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.95 -49.43 51.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.233 -0.917 . . . . 0.0 109.531 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.22 -37.24 86.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.366 -0.834 . . . . 0.0 109.08 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.4 -35.63 79.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 0.0 109.102 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.29 29.64 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.5 -32.07 73.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 108.765 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -29.2 74.39 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.78 -35.62 67.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -1.053 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -70.47 -46.68 63.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.899 . . . . 0.0 109.306 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.19 -29.02 70.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.16 -41.32 77.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.65 -0.656 . . . . 0.0 109.269 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.26 -38.3 66.0 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.194 -0.941 . . . . 0.0 109.198 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -63.97 -47.38 80.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.0 110.004 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -71.6 -26.04 62.42 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.854 -1.154 . . . . 0.0 109.5 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.42 ' SD ' ' NH2' ' A' ' 32' ' ' ARG . 13.8 tmm? -59.14 -39.85 83.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.65 -3.34 33.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.078 -1.014 . . . . 0.0 109.721 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -127.72 44.81 2.86 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.422 -0.799 . . . . 0.0 109.691 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.63 -8.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 108.968 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' SD ' ' A' ' 28' ' ' MET . 41.4 ttm180 -64.34 146.59 54.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.389 -0.819 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.413 ' H3 ' ' H ' ' A' ' 2' ' ' LEU . 9.8 ptp180 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' H ' ' H3 ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -63.76 162.11 13.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.162 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.98 125.09 29.65 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp -169.71 -21.26 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.361 -1.082 . . . . 0.0 108.65 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -168.9 152.53 5.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.289 -0.882 . . . . 0.0 109.12 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t 53.05 40.9 31.97 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.328 -0.858 . . . . 0.0 110.089 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 t -171.53 -51.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -21.11 66.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.39 98.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.376 -0.828 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.21 -40.2 95.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.08 -40.85 74.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.921 . . . . 0.0 108.561 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 m -57.79 -52.45 65.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 109.968 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.71 70.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.958 -1.089 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.08 70.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.46 -59.74 3.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 109.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.75 -39.49 93.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.315 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -62.77 -34.02 76.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.24 77.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.301 -0.874 . . . . 0.0 109.419 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.34 -31.9 73.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 108.6 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.67 98.33 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 71.6 m-20 -74.51 -32.21 62.43 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.485 -1.009 . . . . 0.0 108.49 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.01 -45.48 83.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 109.107 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.87 -33.73 74.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.785 -0.572 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -55.18 -51.92 64.98 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 109.806 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 2.0 mp0 -59.5 -45.09 92.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.934 . . . . 0.0 108.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.87 -51.39 66.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.078 -1.014 . . . . 0.0 110.909 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -75.16 -24.0 57.85 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.768 -1.208 . . . . 0.0 110.431 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.2 ttp -57.42 -50.6 72.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.145 -0.972 . . . . 0.0 111.058 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -86.98 -17.98 31.78 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.589 -1.32 . . . . 0.0 111.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -83.7 -31.75 25.91 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.626 -1.297 . . . . 0.0 108.855 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.19 -42.66 96.57 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.525 -0.734 . . . . 0.0 109.398 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -67.35 88.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.855 . . . . 0.0 109.407 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.851 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.29 0.567 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.33 78.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.422 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.62 96.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 109.58 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.08 -51.92 53.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.79 -42.15 97.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 0.0 108.894 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -59.94 -52.69 64.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.312 -0.867 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.11 74.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -34.14 69.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.74 -44.71 69.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 108.833 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.74 -35.89 79.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.417 -0.802 . . . . 0.0 108.935 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -67.98 -25.8 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.98 69.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.155 -0.966 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.1 mp -65.04 -32.02 73.53 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.93 -41.64 98.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -76.03 -32.17 59.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.394 -1.062 . . . . 0.0 108.843 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.8 -45.88 90.95 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.454 -0.779 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.03 -37.86 86.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.633 -0.667 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -56.13 -46.44 79.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.585 -0.697 . . . . 0.0 110.109 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -72.13 -35.45 69.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.065 -1.022 . . . . 0.0 108.586 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.91 -49.45 77.77 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.45 -0.781 . . . . 0.0 109.934 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 31' ' ' ARG . 9.0 t -74.55 -23.58 58.81 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.112 -0.992 . . . . 0.0 110.023 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.5 ttp -59.78 -50.95 71.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.224 -0.922 . . . . 0.0 111.47 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -86.59 -10.58 53.61 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.576 -1.328 . . . . 0.0 111.158 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -86.88 -42.29 13.33 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.627 -1.295 . . . . 0.0 108.31 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' NE ' ' OG1' ' A' ' 27' ' ' THR . 99.4 mtt180 -66.65 -19.44 65.77 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 0.0 109.351 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.46 76.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 109.455 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -51.14 69.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 0.0 109.636 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.48 -44.7 90.2 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.478 -0.764 . . . . 0.0 109.526 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.93 -42.1 99.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -57.34 -52.2 66.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.688 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -35.07 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.0 110.094 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.73 73.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.894 . . . . 0.0 109.822 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.58 -58.55 4.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 110.16 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.11 -30.92 69.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.067 -1.021 . . . . 0.0 110.207 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.49 -33.52 72.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.09 -1.006 . . . . 0.0 109.142 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.35 60.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.322 -0.861 . . . . 0.0 109.289 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -65.58 -32.06 73.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.383 -0.823 . . . . 0.0 108.826 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -29.08 69.77 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.86 -33.7 60.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.534 -0.98 . . . . 0.0 109.123 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -70.17 -46.12 65.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.91 -30.94 71.93 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -65.5 -44.59 86.55 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.573 -0.704 . . . . 0.0 109.114 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 49.7 tt0 -65.76 -39.9 91.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.47 -0.769 . . . . 0.0 109.39 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -63.8 -50.77 67.66 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -65.66 -24.07 66.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.11 -50.88 70.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.064 -1.022 . . . . 0.0 110.931 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 64.2 p-90 -98.61 -12.61 20.95 Favored 'General case' 0 N--CA 1.513 2.691 0 O-C-N 121.048 -1.032 . . . . 0.0 110.872 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -87.77 -38.51 15.7 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.644 -1.285 . . . . 0.0 109.044 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -66.38 -37.74 85.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.507 -0.745 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.424 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.069 0.462 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -24.48 51.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -0.946 . . . . 0.0 109.799 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.84 59.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.07 -50.83 72.08 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.527 -0.733 . . . . 0.0 110.099 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 mp -60.95 -36.24 78.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.299 -0.876 . . . . 0.0 108.777 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -64.11 -52.55 58.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.06 68.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 109.709 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.75 79.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -71.18 -48.73 49.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.253 -0.904 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.95 -37.96 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.56 -32.54 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.331 -0.856 . . . . 0.0 109.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.23 -57.11 5.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.333 -0.855 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.53 -32.12 73.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 108.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.3 -26.38 71.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.22 -1.552 . . . . 0.0 109.22 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.69 -36.76 62.76 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.43 -1.041 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.71 -46.38 66.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.71 -34.87 76.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -59.8 -51.46 69.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.648 -0.657 . . . . 0.0 109.426 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.16 -44.42 95.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 109.446 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 58.2 mtp180 -57.39 -48.97 77.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.651 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -76.94 -23.92 52.39 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.641 -1.287 . . . . 0.0 110.194 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.63 -50.55 71.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -0.945 . . . . 0.0 110.532 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 51.8 p-90 -70.95 -23.25 62.19 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.713 -1.242 . . . . 0.0 109.98 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.15 -31.42 25.2 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.979 -1.075 . . . . 0.0 108.612 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -65.9 -45.92 80.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.531 -0.731 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.73 66.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.898 . . . . 0.0 109.26 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.34 98.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -64.25 -35.35 80.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.338 -0.851 . . . . 0.0 109.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.1 -36.0 82.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.838 . . . . 0.0 108.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.8 m -61.19 -52.8 63.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 109.758 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.71 76.74 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.159 -0.963 . . . . 0.0 110.069 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.29 70.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.351 -0.843 . . . . 0.0 109.216 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -66.24 -58.36 5.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.788 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.74 -38.64 91.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.317 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -65.56 -29.89 70.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.334 -0.854 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.78 80.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 109.663 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.21 -32.0 73.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.0 108.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.73 93.93 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -76.28 -32.59 58.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.368 -1.077 . . . . 0.0 109.342 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.57 -45.6 86.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.408 -0.808 . . . . 0.0 109.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.23 -31.54 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.002 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.41 -43.92 98.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.434 -0.791 . . . . 0.0 109.124 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.79 -44.36 96.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -0.839 . . . . 0.0 109.059 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.93 -51.34 69.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.399 -0.813 . . . . 0.0 109.44 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.5 p -65.7 -24.33 66.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -0.844 . . . . 0.0 110.14 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.55 -50.39 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -99.97 -12.22 19.96 Favored 'General case' 0 N--CA 1.513 2.717 0 O-C-N 121.214 -0.929 . . . . 0.0 110.953 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -88.93 -39.3 13.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.585 -1.322 . . . . 0.0 109.179 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -62.73 -38.58 91.06 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.44 -0.788 . . . . 0.0 109.611 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.359 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.24 69.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 0.0 109.407 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.25 92.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.321 -0.862 . . . . 0.0 109.458 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.02 -51.77 65.47 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.568 -0.707 . . . . 0.0 109.59 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.96 -34.66 78.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.0 m -58.77 -52.73 64.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.31 -0.869 . . . . 0.0 109.692 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.25 66.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.033 -1.042 . . . . 0.0 110.298 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.31 64.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.073 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.76 -51.33 67.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.506 -0.746 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.04 -36.04 78.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.269 -0.895 . . . . 0.0 108.749 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.27 -24.75 62.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.13 70.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.24 -0.912 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.5 mp -65.2 -30.86 71.79 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.68 -38.99 97.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -75.87 -34.32 60.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.344 -1.092 . . . . 0.0 109.286 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -66.56 -45.8 78.14 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 108.772 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.57 -34.28 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -59.84 -41.22 90.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -67.31 -40.57 86.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.748 . . . . 0.0 109.053 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -60.6 -48.12 83.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 108.876 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.1 p -71.52 -24.47 61.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -60.61 -50.44 73.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.136 -0.977 . . . . 0.0 110.87 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -96.09 -14.35 22.94 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 121.009 -1.057 . . . . 0.0 110.942 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.695 -1.253 . . . . 0.0 109.368 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -64.94 -54.85 24.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.451 -0.78 . . . . 0.0 109.596 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.303 -0.873 . . . . 0.0 109.363 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.85 65.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.797 . . . . 0.0 109.474 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.68 92.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.571 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -66.71 -49.42 66.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.342 -0.849 . . . . 0.0 109.513 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 mp -63.62 -48.1 78.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.913 . . . . 0.0 108.563 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -55.37 -52.36 63.78 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.26 -0.9 . . . . 0.0 110.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.19 61.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.281 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.35 77.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -67.08 -47.41 71.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.209 -0.932 . . . . 0.0 108.905 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.66 -36.98 83.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.397 -0.814 . . . . 0.0 109.006 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.19 -32.92 74.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.317 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.43 76.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.0 109.556 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.55 74.08 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.22 68.38 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 -31.96 61.79 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.494 -1.003 . . . . 0.0 109.07 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.04 -45.64 93.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.65 -37.76 85.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -56.65 -37.18 70.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.505 -0.747 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 51.2 tt0 -74.68 -39.71 61.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.877 . . . . 0.0 109.248 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.05 -48.25 82.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.3 -0.875 . . . . 0.0 109.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -70.85 -24.05 62.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.971 -1.081 . . . . 0.0 109.828 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.18 -50.68 72.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.272 -0.892 . . . . 0.0 110.916 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 62.1 p-90 -97.91 -14.19 20.8 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.03 -1.044 . . . . 0.0 111.002 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.12 -37.91 16.95 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.69 -1.256 . . . . 0.0 108.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -63.97 -45.77 87.64 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.394 -0.816 . . . . 0.0 109.468 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.873 . . . . 0.0 109.511 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.32 -20.42 28.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.183 -0.948 . . . . 0.0 109.768 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.31 82.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 109.765 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -64.72 -40.9 96.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.444 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.6 mm? -71.15 -29.78 65.64 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -64.34 -52.5 58.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.352 -0.843 . . . . 0.0 109.484 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.46 68.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.681 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.87 79.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.46 -44.55 70.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.27 -35.23 80.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.36 -33.0 74.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.433 -0.792 . . . . 0.0 109.374 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.39 76.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 109.709 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -31.95 73.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.906 . . . . 0.0 108.765 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.82 -40.13 93.63 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.99 -33.22 59.72 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.327 -1.102 . . . . 0.0 109.327 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.54 -46.05 81.06 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.81 -37.14 86.62 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -58.23 -36.83 73.76 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.428 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -75.18 -40.22 59.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.355 -0.84 . . . . 0.0 109.198 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.843 . . . . 0.0 109.72 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -74.11 -23.91 59.38 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.976 -1.077 . . . . 0.0 109.939 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -60.48 -50.78 72.2 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -92.3 -17.4 24.8 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.814 -1.179 . . . . 0.0 111.07 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -83.78 -38.57 21.13 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.719 -1.238 . . . . 0.0 108.776 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -64.72 -38.59 91.52 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.517 -0.74 . . . . 0.0 109.352 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.438 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.56 72.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.563 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.76 -47.19 86.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.182 -0.949 . . . . 0.0 108.989 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.09 -37.41 87.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -63.45 -52.46 61.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 109.496 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.2 69.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.377 -0.827 . . . . 0.0 109.759 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -71.54 -46.83 58.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.195 -0.941 . . . . 0.0 109.387 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.59 -37.75 87.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.19 -32.38 72.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.94 71.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.366 -0.834 . . . . 0.0 109.625 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.24 -28.4 69.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.293 -0.879 . . . . 0.0 108.881 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.09 -30.03 69.54 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.03 -36.04 59.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.581 -0.953 . . . . 0.0 109.258 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.52 -47.35 70.19 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 108.746 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -31.18 71.44 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -64.92 -47.98 75.76 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.44 -0.787 . . . . 0.0 109.334 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 79.8 mt-30 -65.42 -41.26 93.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.857 . . . . 0.0 109.349 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.81 -48.36 80.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.0 109.089 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.1 p -69.26 -24.25 63.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.352 -0.842 . . . . 0.0 109.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.76 -50.62 71.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.905 . . . . 0.0 110.995 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 60.8 p-90 -97.74 -12.56 22.16 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.103 -0.998 . . . . 0.0 110.876 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -88.31 -41.96 12.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.676 -1.265 . . . . 0.0 108.897 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -62.66 -12.69 24.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.499 -0.751 . . . . 0.0 109.352 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 109.581 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.7 66.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.868 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.4 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.68 -49.92 55.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 109.236 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.09 -50.48 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.2 m -57.36 -52.62 64.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.128 -0.982 . . . . 0.0 109.803 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.48 -29.93 62.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.404 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.98 93.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.0 109.485 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.99 -50.6 40.06 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -0.931 . . . . 0.0 108.64 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -58.72 -36.27 74.01 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.088 -1.008 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.25 -30.49 71.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.463 -0.773 . . . . 0.0 109.556 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.54 77.28 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.185 -0.947 . . . . 0.0 109.936 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.3 mp -65.27 -32.01 73.45 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.19 -39.74 88.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.11 -33.01 59.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.407 -1.055 . . . . 0.0 109.54 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -45.97 78.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.27 -0.893 . . . . 0.0 109.279 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.39 -36.12 82.65 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.71 -44.55 93.67 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.488 -0.758 . . . . 0.0 109.247 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 80.6 mt-30 -70.61 -34.95 72.67 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -60.0 -51.42 69.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.518 -0.739 . . . . 0.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -72.12 -24.0 61.41 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -57.77 -51.13 70.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 110.529 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 57.5 p-90 -93.2 -24.75 18.1 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.94 -1.1 . . . . 0.0 109.808 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -87.12 56.21 3.9 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.967 -1.083 . . . . 0.0 108.68 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -164.75 -36.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.184 -0.948 . . . . 0.0 109.101 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.866 . . . . 0.0 109.407 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.1 67.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.85 . . . . 0.0 109.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.75 99.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.37 -0.831 . . . . 0.0 109.478 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -67.82 -44.52 77.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.271 -0.893 . . . . 0.0 109.363 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -65.43 -40.24 93.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.0 109.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -65.69 -52.64 49.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.38 -0.825 . . . . 0.0 109.337 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -29.13 67.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.598 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.86 82.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 0.0 109.45 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.75 -47.5 62.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 109.527 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.66 -35.94 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.063 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -66.67 -30.7 71.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.375 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.99 89.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.532 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.53 -31.91 73.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 108.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.54 -39.51 86.77 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.08 -32.6 59.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.396 -1.061 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.34 -45.68 86.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.324 -0.86 . . . . 0.0 108.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.51 -37.79 88.66 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -59.64 -38.27 80.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 88.9 mt-30 -75.4 -37.64 60.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.56 -48.03 83.23 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.819 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -73.56 -23.82 60.02 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.078 -1.014 . . . . 0.0 109.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.3 ttp -61.98 -50.88 70.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.136 -0.977 . . . . 0.0 111.266 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 58.0 p-90 -94.52 -15.15 24.4 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.921 -1.112 . . . . 0.0 110.905 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -85.14 -37.32 20.34 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.65 -1.281 . . . . 0.0 108.461 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -78.19 45.59 0.55 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.081 -1.012 . . . . 0.0 109.249 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -21.94 62.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.6 76.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -0.902 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.55 96.16 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.426 -0.796 . . . . 0.0 109.373 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.7 mm? -69.46 -35.97 76.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.219 -0.926 . . . . 0.0 108.577 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.9 m -60.09 -52.57 64.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.385 -0.822 . . . . 0.0 109.482 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.902 . . . . 0.0 109.75 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.04 -32.23 53.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.105 -0.997 . . . . 0.0 109.903 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.15 -44.25 60.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.26 -0.9 . . . . 0.0 108.731 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.76 -38.33 90.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.059 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.99 -24.56 64.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.211 -0.931 . . . . 0.0 108.667 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.66 79.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.157 -0.965 . . . . 0.0 109.777 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.2 mp -65.12 -32.15 73.71 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.68 99.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.95 -32.17 59.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.409 -1.054 . . . . 0.0 108.504 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.76 -45.37 89.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.052 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.55 -33.17 72.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.715 -0.615 . . . . 0.0 109.608 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -55.07 -50.08 70.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.452 -0.78 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -66.84 -33.42 75.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.089 -1.007 . . . . 0.0 108.811 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -63.89 -50.65 67.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.87 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.7 t -72.21 -24.47 61.41 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.023 -1.048 . . . . 0.0 109.879 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.39 -49.83 76.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.206 -0.934 . . . . 0.0 109.747 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CZ3' ' NH2' ' A' ' 32' ' ' ARG . 87.4 m95 -64.94 -36.6 84.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.631 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -81.85 29.08 0.4 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.131 -0.981 . . . . 0.0 109.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -164.47 47.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.0 109.008 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' CZ3' ' A' ' 29' ' ' TRP . 51.5 ttp180 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -20.67 66.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.53 93.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 109.593 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 27.2 mp0 -63.93 -47.83 78.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 109.24 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -65.54 -36.59 84.24 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.5 m -57.61 -52.47 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 109.707 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -32.69 66.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.76 72.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -67.97 -59.72 3.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.241 -0.912 . . . . 0.0 110.154 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.8 -30.45 69.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.14 -0.975 . . . . 0.0 110.259 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -71.9 -48.89 42.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.993 -1.067 . . . . 0.0 109.277 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -31.85 72.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 109.441 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.53 -32.2 73.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.237 -0.915 . . . . 0.0 108.906 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.09 86.24 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.25 -32.47 62.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.422 -1.046 . . . . 0.0 108.972 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.44 -37.1 84.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.415 -0.803 . . . . 0.0 108.897 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -55.88 -39.42 71.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.553 -0.717 . . . . 0.0 109.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.37 -40.37 62.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.086 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 59.9 mtp180 -59.28 -45.44 91.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 t -76.92 -24.26 52.45 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.895 -1.128 . . . . 0.0 109.864 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.84 -50.57 72.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.129 -0.982 . . . . 0.0 110.446 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 61.1 p-90 -71.2 -14.18 62.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.733 -1.23 . . . . 0.0 110.017 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -89.26 -46.17 8.98 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.048 -1.032 . . . . 0.0 108.307 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -62.8 -22.58 66.73 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.453 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.53 -20.8 65.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.466 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.86 97.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.456 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -65.04 -45.92 83.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 0.0 109.444 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.5 -33.41 75.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.158 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -66.54 -52.54 44.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.04 -29.23 68.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 109.526 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.79 84.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.351 -0.843 . . . . 0.0 109.259 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -68.85 -50.95 45.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.29 -0.881 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.31 -35.51 75.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.302 -0.874 . . . . 0.0 109.047 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.49 -28.72 69.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.18 76.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 0.0 109.651 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.4 mp -65.42 -32.47 74.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.99 88.95 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.06 -33.88 59.59 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.409 -1.054 . . . . 0.0 109.226 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.395 -0.815 . . . . 0.0 109.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.51 -30.28 70.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -0.833 . . . . 0.0 109.093 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -61.2 -51.25 69.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.8 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.64 -32.97 74.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.409 -0.807 . . . . 0.0 108.975 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -58.52 -51.48 69.68 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.56 -0.713 . . . . 0.0 109.991 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -66.29 -29.98 70.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 111.232 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 mtm -56.35 -51.26 68.92 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.879 -1.138 . . . . 0.0 110.089 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -94.97 -22.49 17.93 Favored 'General case' 0 N--CA 1.512 2.633 0 O-C-N 121.097 -1.002 . . . . 0.0 110.504 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -90.67 45.36 1.25 Allowed 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.892 -1.13 . . . . 0.0 108.927 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -162.17 -21.32 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.04 -1.038 . . . . 0.0 109.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.868 . . . . 0.0 109.497 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.95 -20.59 65.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.427 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.95 94.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.07 -47.95 66.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 109.393 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.55 -34.59 78.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 109.197 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -66.05 -52.55 48.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.487 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.22 67.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.36 -0.838 . . . . 0.0 109.682 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.99 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.377 -0.827 . . . . 0.0 109.251 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -66.79 -51.83 51.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.845 . . . . 0.0 109.365 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.67 -34.33 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.283 -0.885 . . . . 0.0 109.163 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -32.6 72.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.542 -0.724 . . . . 0.0 109.273 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.7 81.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.197 -0.939 . . . . 0.0 109.875 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.8 mp -64.97 -31.98 73.47 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.2 99.53 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -75.86 -32.04 59.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -1.067 . . . . 0.0 108.701 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.79 -45.89 92.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.415 -0.803 . . . . 0.0 108.907 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.01 -36.18 79.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.522 -0.736 . . . . 0.0 109.187 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -55.08 -41.62 71.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.426 -0.796 . . . . 0.0 109.918 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -71.13 -40.07 71.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.904 . . . . 0.0 109.268 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -59.63 -48.99 79.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.908 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.454 ' OG1' ' NH2' ' A' ' 31' ' ' ARG . 8.9 t -72.98 -24.07 60.72 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.036 -1.04 . . . . 0.0 109.892 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.2 ttp -57.47 -51.14 70.66 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.378 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -93.01 -25.1 18.11 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.009 -1.057 . . . . 0.0 109.905 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -87.07 44.91 1.21 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.049 -1.032 . . . . 0.0 109.001 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' NH2' ' OG1' ' A' ' 27' ' ' THR . 39.8 ttm180 -155.69 -38.01 0.08 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.187 -0.946 . . . . 0.0 108.768 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.333 -0.855 . . . . 0.0 109.439 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.05 65.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.346 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.38 -50.9 63.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 20.7 mp0 -62.38 -45.91 91.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 108.993 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.31 -47.46 85.94 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -57.6 -52.52 65.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.155 -0.965 . . . . 0.0 109.815 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -28.62 62.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.42 -0.8 . . . . 0.0 110.482 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.42 80.33 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 110.857 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -90.26 -30.96 17.2 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.889 -1.132 . . . . 0.0 109.909 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.11 -44.3 54.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.62 -41.94 87.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 109.369 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.27 82.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.592 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.66 -31.95 73.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 108.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.04 -27.97 72.94 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -36.39 66.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.468 -1.019 . . . . 0.0 109.276 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.45 -46.41 69.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.71 -29.04 70.31 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -68.85 -38.87 80.07 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.614 -0.679 . . . . 0.0 109.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -75.35 -40.13 58.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 108.947 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.65 -47.07 87.05 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.489 -0.757 . . . . 0.0 110.044 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -71.36 -23.77 61.96 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.933 -1.104 . . . . 0.0 109.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -61.3 -50.89 71.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 111.119 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -97.06 -14.41 21.6 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.019 -1.051 . . . . 0.0 111.065 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -84.68 -35.91 22.25 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.701 -1.249 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -63.7 -54.58 33.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.536 -0.728 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.84 63.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.534 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.42 84.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.76 -48.45 63.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.86 -39.53 72.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.271 -0.893 . . . . 0.0 108.776 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -64.04 -52.56 58.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.325 -0.859 . . . . 0.0 109.554 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.15 68.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.334 -0.853 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.54 78.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -71.31 -47.99 53.27 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.219 -0.925 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.82 -37.0 85.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.327 -0.858 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -61.82 -36.87 82.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 109.224 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.66 74.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.271 -0.893 . . . . 0.0 109.531 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -65.15 -31.74 73.09 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -41.36 99.59 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.51 -31.57 57.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.216 -1.167 . . . . 0.0 108.941 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.76 -48.3 80.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.571 -0.706 . . . . 0.0 110.731 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.64 -28.14 60.74 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.996 -1.065 . . . . 0.0 109.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -60.34 -42.81 96.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.288 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.72 -34.32 71.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -0.936 . . . . 0.0 108.775 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -56.62 -45.8 81.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.767 . . . . 0.0 109.937 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -72.9 -25.76 61.18 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.996 -1.065 . . . . 0.0 109.369 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ARG . 13.1 tmm? -68.9 -47.84 64.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.82 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -61.93 -19.71 63.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.178 -0.951 . . . . 0.0 109.805 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -93.71 -48.96 6.08 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.19 -54.8 12.94 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 109.266 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.63 65.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.511 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.42 98.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 109.452 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -65.7 -50.42 64.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.399 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -50.19 73.77 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -55.46 -52.43 63.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.103 -0.998 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.21 71.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.136 -0.978 . . . . 0.0 110.331 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.33 -31.52 65.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.67 -60.67 3.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.422 -0.798 . . . . 0.0 109.876 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.33 -25.12 68.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 109.873 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.94 -41.43 86.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.932 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.41 -42.62 82.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.887 . . . . 0.0 109.831 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.16 -28.57 69.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 0.0 108.796 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.33 -41.9 90.77 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -76.85 -32.03 57.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.341 -1.094 . . . . 0.0 109.643 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.19 -47.43 85.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.364 -0.835 . . . . 0.0 110.572 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.15 -27.96 61.09 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.932 -1.105 . . . . 0.0 109.175 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -60.74 -47.3 86.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.835 . . . . 0.0 109.5 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 89.0 mt-30 -68.14 -31.42 70.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -59.42 -46.03 89.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.304 -0.872 . . . . 0.0 109.623 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -74.97 -24.4 58.44 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.044 -1.035 . . . . 0.0 109.651 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 ttp -59.47 -50.68 72.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 110.971 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 59.9 p-90 -96.1 -15.09 22.38 Favored 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.957 -1.089 . . . . 0.0 111.123 -178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -87.38 -36.54 17.72 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.575 -1.328 . . . . 0.0 109.081 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.18 -56.89 9.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.452 -0.78 . . . . 0.0 109.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.263 0.554 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.19 68.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.0 109.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.17 99.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 109.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.09 -51.25 62.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.293 -0.88 . . . . 0.0 109.418 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.8 -39.28 93.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.3 m -62.18 -52.47 63.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.356 -0.84 . . . . 0.0 109.599 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.25 66.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.403 -0.811 . . . . 0.0 109.985 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.69 81.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -45.65 69.15 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.95 -36.28 83.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.171 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -62.93 -36.55 83.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 0.0 108.848 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.02 68.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.33 -0.856 . . . . 0.0 109.553 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.48 -32.08 73.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.89 . . . . 0.0 108.926 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -38.87 87.13 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.74 -32.37 59.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -1.036 . . . . 0.0 109.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.56 88.32 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 108.979 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.33 -36.12 83.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 108.99 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.87 -45.31 86.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.512 -0.742 . . . . 0.0 109.664 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -70.7 -35.1 72.59 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 71.7 ttt180 -59.1 -51.03 71.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -74.41 -23.89 59.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.101 -1.0 . . . . 0.0 110.005 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -55.75 -50.67 69.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 110.678 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 53.9 p-90 -73.08 -24.36 60.65 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.726 -1.234 . . . . 0.0 110.253 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -84.82 -34.41 22.72 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.907 -1.12 . . . . 0.0 108.726 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -67.59 -38.15 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 121.193 0.521 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -21.73 62.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.957 -1.089 . . . . 0.0 109.344 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.03 -51.0 14.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.328 -0.857 . . . . 0.0 110.368 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.2 -33.65 75.95 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.856 -1.153 . . . . 0.0 109.556 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.87 -28.31 68.86 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -52.76 27.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.347 -0.845 . . . . 0.0 109.663 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -29.15 66.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 109.718 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.99 85.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.864 . . . . 0.0 109.487 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.95 -49.43 51.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.233 -0.917 . . . . 0.0 109.531 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.22 -37.24 86.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.366 -0.834 . . . . 0.0 109.08 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.4 -35.63 79.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 0.0 109.102 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.29 29.64 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.5 -32.07 73.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 108.765 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -29.2 74.39 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.78 -35.62 67.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -1.053 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -70.47 -46.68 63.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.899 . . . . 0.0 109.306 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.19 -29.02 70.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.16 -41.32 77.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.65 -0.656 . . . . 0.0 109.269 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -73.26 -38.3 66.0 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.194 -0.941 . . . . 0.0 109.198 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -63.97 -47.38 80.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.0 110.004 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -71.6 -26.04 62.42 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.854 -1.154 . . . . 0.0 109.5 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.42 ' SD ' ' NH2' ' A' ' 32' ' ' ARG . 13.8 tmm? -59.14 -39.85 83.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.65 -3.34 33.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.078 -1.014 . . . . 0.0 109.721 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -127.72 44.81 2.86 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.422 -0.799 . . . . 0.0 109.691 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.63 -8.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 108.968 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' SD ' ' A' ' 28' ' ' MET . 41.4 ttm180 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.389 -0.819 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -21.11 66.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.39 98.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.376 -0.828 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.21 -40.2 95.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.08 -40.85 74.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.921 . . . . 0.0 108.561 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 m -57.79 -52.45 65.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 109.968 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.71 70.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.958 -1.089 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.08 70.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.46 -59.74 3.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 109.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.75 -39.49 93.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.315 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -62.77 -34.02 76.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.24 77.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.301 -0.874 . . . . 0.0 109.419 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.34 -31.9 73.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 108.6 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.67 98.33 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -74.51 -32.21 62.43 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.485 -1.009 . . . . 0.0 108.49 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.01 -45.48 83.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 109.107 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.87 -33.73 74.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.785 -0.572 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -55.18 -51.92 64.98 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 109.806 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -59.5 -45.09 92.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.934 . . . . 0.0 108.848 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.87 -51.39 66.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.078 -1.014 . . . . 0.0 110.909 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -75.16 -24.0 57.85 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.768 -1.208 . . . . 0.0 110.431 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.2 ttp -57.42 -50.6 72.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.145 -0.972 . . . . 0.0 111.058 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -86.98 -17.98 31.78 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.589 -1.32 . . . . 0.0 111.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -83.7 -31.75 25.91 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.626 -1.297 . . . . 0.0 108.855 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.19 -42.66 96.57 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.525 -0.734 . . . . 0.0 109.398 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.855 . . . . 0.0 109.407 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 3' ' ' GLY . 72.2 ttt180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.6 mt 59.46 -79.73 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 0.0 109.741 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' ARG . . . -176.78 43.18 0.1 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.5 tp -64.46 79.01 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -1.115 . . . . 0.0 108.911 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' SER . 44.3 ttp180 -168.88 154.61 6.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.31 -0.869 . . . . 0.0 109.324 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t 53.02 -87.18 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.6 -0.687 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ARG . 44.0 t -56.92 -9.71 0.89 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.081 -1.012 . . . . 0.0 109.703 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.33 78.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.422 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.62 96.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 109.58 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.08 -51.92 53.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.79 -42.15 97.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 0.0 108.894 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -59.94 -52.69 64.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.312 -0.867 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.11 74.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -34.14 69.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.74 -44.71 69.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 108.833 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.74 -35.89 79.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.417 -0.802 . . . . 0.0 108.935 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -67.98 -25.8 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.98 69.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.155 -0.966 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.1 mp -65.04 -32.02 73.53 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.93 -41.64 98.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -76.03 -32.17 59.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.394 -1.062 . . . . 0.0 108.843 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.8 -45.88 90.95 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.454 -0.779 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.03 -37.86 86.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.633 -0.667 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -56.13 -46.44 79.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.585 -0.697 . . . . 0.0 110.109 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -72.13 -35.45 69.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.065 -1.022 . . . . 0.0 108.586 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.91 -49.45 77.77 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.45 -0.781 . . . . 0.0 109.934 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 31' ' ' ARG . 9.0 t -74.55 -23.58 58.81 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.112 -0.992 . . . . 0.0 110.023 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.5 ttp -59.78 -50.95 71.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.224 -0.922 . . . . 0.0 111.47 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -86.59 -10.58 53.61 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.576 -1.328 . . . . 0.0 111.158 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -86.88 -42.29 13.33 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.627 -1.295 . . . . 0.0 108.31 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' NE ' ' OG1' ' A' ' 27' ' ' THR . 99.4 mtt180 -66.65 -19.44 65.77 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -60.15 104.0 0.27 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 0.0 109.351 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.4 mt -65.4 160.84 21.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 0.0 109.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.42 163.06 0.45 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.27 72.58 0.49 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.301 -1.117 . . . . 0.0 109.628 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -169.04 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.215 -0.928 . . . . 0.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -63.24 -48.82 76.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.83 . . . . 0.0 109.499 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -64.21 -38.28 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.503 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.46 76.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 109.455 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -51.14 69.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 0.0 109.636 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.48 -44.7 90.2 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.478 -0.764 . . . . 0.0 109.526 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.93 -42.1 99.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -57.34 -52.2 66.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.688 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -35.07 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.0 110.094 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.73 73.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.894 . . . . 0.0 109.822 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.58 -58.55 4.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 110.16 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.11 -30.92 69.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.067 -1.021 . . . . 0.0 110.207 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.49 -33.52 72.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.09 -1.006 . . . . 0.0 109.142 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.35 60.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.322 -0.861 . . . . 0.0 109.289 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -65.58 -32.06 73.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.383 -0.823 . . . . 0.0 108.826 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -29.08 69.77 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.86 -33.7 60.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.534 -0.98 . . . . 0.0 109.123 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -70.17 -46.12 65.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.91 -30.94 71.93 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -65.5 -44.59 86.55 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.573 -0.704 . . . . 0.0 109.114 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 49.7 tt0 -65.76 -39.9 91.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.47 -0.769 . . . . 0.0 109.39 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -63.8 -50.77 67.66 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -65.66 -24.07 66.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.11 -50.88 70.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.064 -1.022 . . . . 0.0 110.931 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 64.2 p-90 -98.61 -12.61 20.95 Favored 'General case' 0 N--CA 1.513 2.691 0 O-C-N 121.048 -1.032 . . . . 0.0 110.872 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -87.77 -38.51 15.7 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.644 -1.285 . . . . 0.0 109.044 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -66.38 -37.74 85.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.507 -0.745 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 -61.49 -27.59 68.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.424 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.38 -4.97 2.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.71 142.01 5.7 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.33 -34.62 78.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 0.0 109.25 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 56.43 48.25 17.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.301 -0.875 . . . . 0.0 109.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -77.66 -82.73 0.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.127 -0.983 . . . . 0.0 109.639 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.3 m -60.07 -35.75 75.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.853 . . . . 0.0 109.782 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -24.48 51.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -0.946 . . . . 0.0 109.799 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.84 59.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.07 -50.83 72.08 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.527 -0.733 . . . . 0.0 110.099 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 mp -60.95 -36.24 78.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.299 -0.876 . . . . 0.0 108.777 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -64.11 -52.55 58.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.06 68.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 109.709 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.75 79.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -71.18 -48.73 49.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.253 -0.904 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.95 -37.96 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.56 -32.54 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.331 -0.856 . . . . 0.0 109.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.23 -57.11 5.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.333 -0.855 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.53 -32.12 73.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 108.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.3 -26.38 71.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.22 -1.552 . . . . 0.0 109.22 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.69 -36.76 62.76 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.43 -1.041 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.71 -46.38 66.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.71 -34.87 76.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -59.8 -51.46 69.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.648 -0.657 . . . . 0.0 109.426 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.16 -44.42 95.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 109.446 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 58.2 mtp180 -57.39 -48.97 77.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.651 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -76.94 -23.92 52.39 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.641 -1.287 . . . . 0.0 110.194 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.63 -50.55 71.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -0.945 . . . . 0.0 110.532 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 51.8 p-90 -70.95 -23.25 62.19 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.713 -1.242 . . . . 0.0 109.98 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.15 -31.42 25.2 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.979 -1.075 . . . . 0.0 108.612 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -65.9 -45.92 80.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.531 -0.731 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.99 138.58 58.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.827 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.3 mp -63.92 -173.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.69 37.67 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 4' ' ' LEU . 10.9 mp -69.91 -37.46 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.263 -1.139 . . . . 0.0 108.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 52.97 -174.93 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.476 -0.765 . . . . 0.0 110.082 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.3 t 58.43 111.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.75 -0.594 . . . . 0.0 110.171 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t 68.46 -48.56 0.55 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.62 -0.675 . . . . 0.0 109.719 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -64.05 -20.73 66.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.898 . . . . 0.0 109.26 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.34 98.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -64.25 -35.35 80.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.338 -0.851 . . . . 0.0 109.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.1 -36.0 82.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.838 . . . . 0.0 108.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.8 m -61.19 -52.8 63.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 109.758 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.71 76.74 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.159 -0.963 . . . . 0.0 110.069 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.29 70.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.351 -0.843 . . . . 0.0 109.216 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -66.24 -58.36 5.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.788 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.74 -38.64 91.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.317 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -65.56 -29.89 70.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.334 -0.854 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.78 80.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 109.663 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.21 -32.0 73.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.0 108.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.73 93.93 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -76.28 -32.59 58.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.368 -1.077 . . . . 0.0 109.342 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.57 -45.6 86.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.408 -0.808 . . . . 0.0 109.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.23 -31.54 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.002 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.41 -43.92 98.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.434 -0.791 . . . . 0.0 109.124 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.79 -44.36 96.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -0.839 . . . . 0.0 109.059 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.93 -51.34 69.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.399 -0.813 . . . . 0.0 109.44 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.5 p -65.7 -24.33 66.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -0.844 . . . . 0.0 110.14 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.55 -50.39 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -99.97 -12.22 19.96 Favored 'General case' 0 N--CA 1.513 2.717 0 O-C-N 121.214 -0.929 . . . . 0.0 110.953 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -88.93 -39.3 13.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.585 -1.322 . . . . 0.0 109.179 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -62.73 -38.58 91.06 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.44 -0.788 . . . . 0.0 109.611 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -61.06 138.7 58.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.359 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -166.85 98.74 0.55 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.204 -0.935 . . . . 0.0 108.532 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.18 159.07 44.71 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.38 174.24 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.413 -1.051 . . . . 0.0 109.732 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -170.67 33.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.368 -0.832 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -171.55 -54.51 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.314 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -62.24 -16.17 51.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.321 -0.862 . . . . 0.0 109.416 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.24 69.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 0.0 109.407 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.25 92.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.321 -0.862 . . . . 0.0 109.458 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.02 -51.77 65.47 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.568 -0.707 . . . . 0.0 109.59 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.96 -34.66 78.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.0 m -58.77 -52.73 64.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.31 -0.869 . . . . 0.0 109.692 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.25 66.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.033 -1.042 . . . . 0.0 110.298 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.31 64.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.073 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.76 -51.33 67.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.506 -0.746 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.04 -36.04 78.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.269 -0.895 . . . . 0.0 108.749 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.27 -24.75 62.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.13 70.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.24 -0.912 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.5 mp -65.2 -30.86 71.79 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.68 -38.99 97.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -75.87 -34.32 60.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.344 -1.092 . . . . 0.0 109.286 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -66.56 -45.8 78.14 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 108.772 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.57 -34.28 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -59.84 -41.22 90.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -67.31 -40.57 86.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.748 . . . . 0.0 109.053 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -60.6 -48.12 83.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 108.876 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.1 p -71.52 -24.47 61.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -60.61 -50.44 73.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.136 -0.977 . . . . 0.0 110.87 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -96.09 -14.35 22.94 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 121.009 -1.057 . . . . 0.0 110.942 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.695 -1.253 . . . . 0.0 109.368 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -64.94 -54.85 24.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.451 -0.78 . . . . 0.0 109.596 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -59.9 126.78 28.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.303 -0.873 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.8 tp -170.19 127.13 0.83 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.62 0.88 9.14 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 4' ' ' LEU . 2.6 mm? 52.95 16.79 0.76 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.578 -0.954 . . . . 0.0 109.303 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -68.1 67.88 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.274 -0.891 . . . . 0.0 109.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 24.9 t -171.71 -36.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.889 . . . . 0.0 109.394 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.1 t -64.31 -31.18 72.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 0.0 109.447 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.85 65.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.797 . . . . 0.0 109.474 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.68 92.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.571 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -66.71 -49.42 66.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.342 -0.849 . . . . 0.0 109.513 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 mp -63.62 -48.1 78.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.913 . . . . 0.0 108.563 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -55.37 -52.36 63.78 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.26 -0.9 . . . . 0.0 110.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.19 61.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.281 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.35 77.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -67.08 -47.41 71.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.209 -0.932 . . . . 0.0 108.905 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.66 -36.98 83.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.397 -0.814 . . . . 0.0 109.006 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.19 -32.92 74.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.317 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.43 76.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.0 109.556 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.55 74.08 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.22 68.38 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 -31.96 61.79 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.494 -1.003 . . . . 0.0 109.07 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.04 -45.64 93.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.65 -37.76 85.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -56.65 -37.18 70.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.505 -0.747 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 51.2 tt0 -74.68 -39.71 61.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.877 . . . . 0.0 109.248 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.05 -48.25 82.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.3 -0.875 . . . . 0.0 109.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -70.85 -24.05 62.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.971 -1.081 . . . . 0.0 109.828 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.18 -50.68 72.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.272 -0.892 . . . . 0.0 110.916 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 62.1 p-90 -97.91 -14.19 20.8 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.03 -1.044 . . . . 0.0 111.002 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.12 -37.91 16.95 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.69 -1.256 . . . . 0.0 108.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' NH2 . 68.0 ttp85 -63.97 -45.77 87.64 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.394 -0.816 . . . . 0.0 109.468 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -68.77 43.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.873 . . . . 0.0 109.511 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.889 -1.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.577 ' H1 ' ' CD ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tt -167.13 110.66 0.7 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.245 -0.91 . . . . 0.0 108.569 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 5' ' ' ARG . . . 176.7 150.64 8.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.62 60.64 0.15 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.226 -1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.474 HH21 ' H2 ' ' A' ' 1' ' ' ARG . 44.7 mtt-85 -65.82 -141.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' ALA . 12.8 m 55.7 171.02 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.331 -0.855 . . . . 0.0 109.725 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.5 m 52.09 -88.86 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.373 -0.829 . . . . 0.0 110.242 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -57.32 -20.42 28.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.183 -0.948 . . . . 0.0 109.768 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.31 82.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 109.765 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -64.72 -40.9 96.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.444 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.6 mm? -71.15 -29.78 65.64 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -64.34 -52.5 58.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.352 -0.843 . . . . 0.0 109.484 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.46 68.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.681 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.87 79.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.46 -44.55 70.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.27 -35.23 80.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.36 -33.0 74.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.433 -0.792 . . . . 0.0 109.374 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.39 76.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 109.709 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -31.95 73.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.906 . . . . 0.0 108.765 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.82 -40.13 93.63 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.99 -33.22 59.72 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.327 -1.102 . . . . 0.0 109.327 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.54 -46.05 81.06 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.81 -37.14 86.62 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -58.23 -36.83 73.76 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.428 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -75.18 -40.22 59.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.355 -0.84 . . . . 0.0 109.198 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.843 . . . . 0.0 109.72 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -74.11 -23.91 59.38 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.976 -1.077 . . . . 0.0 109.939 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -60.48 -50.78 72.2 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -92.3 -17.4 24.8 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.814 -1.179 . . . . 0.0 111.07 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -83.78 -38.57 21.13 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.719 -1.238 . . . . 0.0 108.776 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -64.72 -38.59 91.52 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.517 -0.74 . . . . 0.0 109.352 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -63.06 103.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.95 16.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.323 -0.86 . . . . 0.0 109.01 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 5' ' ' ARG . . . -63.32 -4.36 8.58 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.08 -59.65 0.43 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.774 -0.839 . . . . 0.0 108.979 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLY . 96.6 mtt180 51.82 179.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.232 -0.918 . . . . 0.0 110.625 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.465 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 28.1 t -170.77 -78.09 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.162 -0.961 . . . . 0.0 109.515 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -66.33 -31.03 71.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.304 -0.872 . . . . 0.0 109.519 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.56 72.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.563 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 6' ' ' SER . 1.8 mp0 -59.76 -47.19 86.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.182 -0.949 . . . . 0.0 108.989 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.09 -37.41 87.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -63.45 -52.46 61.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 109.496 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.2 69.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.377 -0.827 . . . . 0.0 109.759 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -71.54 -46.83 58.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.195 -0.941 . . . . 0.0 109.387 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.59 -37.75 87.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.19 -32.38 72.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.94 71.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.366 -0.834 . . . . 0.0 109.625 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.24 -28.4 69.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.293 -0.879 . . . . 0.0 108.881 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.09 -30.03 69.54 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.03 -36.04 59.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.581 -0.953 . . . . 0.0 109.258 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.52 -47.35 70.19 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 108.746 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -31.18 71.44 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -64.92 -47.98 75.76 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.44 -0.787 . . . . 0.0 109.334 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 79.8 mt-30 -65.42 -41.26 93.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.857 . . . . 0.0 109.349 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.81 -48.36 80.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.0 109.089 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.1 p -69.26 -24.25 63.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.352 -0.842 . . . . 0.0 109.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.76 -50.62 71.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.905 . . . . 0.0 110.995 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 60.8 p-90 -97.74 -12.56 22.16 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.103 -0.998 . . . . 0.0 110.876 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -88.31 -41.96 12.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.676 -1.265 . . . . 0.0 108.897 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -62.66 -12.69 24.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.499 -0.751 . . . . 0.0 109.352 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -57.89 127.33 31.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 109.581 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.2 mp -62.53 -73.49 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.35 -95.57 0.1 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.59 146.85 54.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.375 -1.074 . . . . 0.0 109.206 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -168.97 -21.52 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -62.55 -43.66 98.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.416 -0.802 . . . . 0.0 109.49 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -31.89 73.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.351 -0.843 . . . . 0.0 109.497 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.7 66.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.868 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.4 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.68 -49.92 55.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 109.236 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.09 -50.48 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.2 m -57.36 -52.62 64.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.128 -0.982 . . . . 0.0 109.803 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.48 -29.93 62.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.404 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.98 93.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.0 109.485 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.99 -50.6 40.06 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -0.931 . . . . 0.0 108.64 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -58.72 -36.27 74.01 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.088 -1.008 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.25 -30.49 71.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.463 -0.773 . . . . 0.0 109.556 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.54 77.28 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.185 -0.947 . . . . 0.0 109.936 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.3 mp -65.27 -32.01 73.45 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.19 -39.74 88.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.11 -33.01 59.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.407 -1.055 . . . . 0.0 109.54 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -45.97 78.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.27 -0.893 . . . . 0.0 109.279 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.39 -36.12 82.65 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.71 -44.55 93.67 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.488 -0.758 . . . . 0.0 109.247 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 80.6 mt-30 -70.61 -34.95 72.67 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -60.0 -51.42 69.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.518 -0.739 . . . . 0.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -72.12 -24.0 61.41 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -57.77 -51.13 70.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 110.529 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 57.5 p-90 -93.2 -24.75 18.1 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.94 -1.1 . . . . 0.0 109.808 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -87.12 56.21 3.9 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.967 -1.083 . . . . 0.0 108.68 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -164.75 -36.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.184 -0.948 . . . . 0.0 109.101 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -62.01 131.27 49.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.866 . . . . 0.0 109.407 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.767 -1.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.573 ' HD2' ' H1 ' ' A' ' 1' ' ' ARG . 10.5 mpt_? . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.525 ' CD2' ' H ' ' A' ' 3' ' ' GLY . 0.5 OUTLIER -167.8 -154.47 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.525 ' H ' ' CD2' ' A' ' 2' ' ' LEU . . . -74.57 46.65 1.68 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 4' ' ' LEU . 11.0 mp -68.46 142.0 55.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.286 -1.126 . . . . 0.0 108.287 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -60.99 140.67 57.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 t -171.63 -74.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -64.87 -22.41 66.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.1 67.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.85 . . . . 0.0 109.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.75 99.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.37 -0.831 . . . . 0.0 109.478 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -67.82 -44.52 77.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.271 -0.893 . . . . 0.0 109.363 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -65.43 -40.24 93.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.0 109.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -65.69 -52.64 49.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.38 -0.825 . . . . 0.0 109.337 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -29.13 67.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.598 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.86 82.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 0.0 109.45 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.75 -47.5 62.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 109.527 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.66 -35.94 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.063 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -66.67 -30.7 71.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.375 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.99 89.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.532 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.53 -31.91 73.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 108.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.54 -39.51 86.77 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.08 -32.6 59.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.396 -1.061 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.34 -45.68 86.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.324 -0.86 . . . . 0.0 108.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.51 -37.79 88.66 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -59.64 -38.27 80.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 88.9 mt-30 -75.4 -37.64 60.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.56 -48.03 83.23 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.819 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -73.56 -23.82 60.02 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.078 -1.014 . . . . 0.0 109.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.3 ttp -61.98 -50.88 70.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.136 -0.977 . . . . 0.0 111.266 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 58.0 p-90 -94.52 -15.15 24.4 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.921 -1.112 . . . . 0.0 110.905 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -85.14 -37.32 20.34 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.65 -1.281 . . . . 0.0 108.461 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -78.19 45.59 0.55 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -167.89 92.84 0.37 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.081 -1.012 . . . . 0.0 109.249 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.419 0 O-C-N 119.925 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.562 ' N ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.4 tp -169.94 135.9 1.45 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.27 -0.894 . . . . 0.0 108.668 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.39 -144.69 41.21 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.76 86.17 0.08 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.283 -1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -65.6 95.62 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -171.55 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.318 -0.864 . . . . 0.0 109.499 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p -60.96 -34.14 74.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.466 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -21.94 62.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.6 76.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -0.902 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.55 96.16 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.426 -0.796 . . . . 0.0 109.373 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.7 mm? -69.46 -35.97 76.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.219 -0.926 . . . . 0.0 108.577 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.9 m -60.09 -52.57 64.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.385 -0.822 . . . . 0.0 109.482 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.902 . . . . 0.0 109.75 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.04 -32.23 53.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.105 -0.997 . . . . 0.0 109.903 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.15 -44.25 60.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.26 -0.9 . . . . 0.0 108.731 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.76 -38.33 90.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.059 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.99 -24.56 64.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.211 -0.931 . . . . 0.0 108.667 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.66 79.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.157 -0.965 . . . . 0.0 109.777 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.2 mp -65.12 -32.15 73.71 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.68 99.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.95 -32.17 59.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.409 -1.054 . . . . 0.0 108.504 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.76 -45.37 89.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.052 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.55 -33.17 72.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.715 -0.615 . . . . 0.0 109.608 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -55.07 -50.08 70.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.452 -0.78 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -66.84 -33.42 75.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.089 -1.007 . . . . 0.0 108.811 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -63.89 -50.65 67.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.87 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.7 t -72.21 -24.47 61.41 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.023 -1.048 . . . . 0.0 109.879 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.39 -49.83 76.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.206 -0.934 . . . . 0.0 109.747 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CZ3' ' NH2' ' A' ' 32' ' ' ARG . 87.4 m95 -64.94 -36.6 84.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.631 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -81.85 29.08 0.4 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.131 -0.981 . . . . 0.0 109.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -164.47 47.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.0 109.008 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' CZ3' ' A' ' 29' ' ' TRP . 51.5 ttp180 -169.4 92.82 0.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.248 0.547 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.65 -32.27 73.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.868 . . . . 0.0 109.093 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.06 -168.43 15.05 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 4' ' ' LEU . 10.3 mp 53.07 50.56 17.59 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.488 -1.007 . . . . 0.0 109.186 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' SER . 41.4 ttm180 -66.19 -34.87 79.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.184 -0.947 . . . . 0.0 109.386 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -66.6 72.79 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.0 109.493 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ARG . 59.7 p -170.2 -59.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.354 -0.841 . . . . 0.0 109.396 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -20.67 66.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.53 93.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 109.593 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 27.2 mp0 -63.93 -47.83 78.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 109.24 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -65.54 -36.59 84.24 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.5 m -57.61 -52.47 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 109.707 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -32.69 66.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.76 72.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -67.97 -59.72 3.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.241 -0.912 . . . . 0.0 110.154 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.8 -30.45 69.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.14 -0.975 . . . . 0.0 110.259 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -71.9 -48.89 42.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.993 -1.067 . . . . 0.0 109.277 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -31.85 72.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 109.441 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.53 -32.2 73.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.237 -0.915 . . . . 0.0 108.906 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.09 86.24 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.25 -32.47 62.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.422 -1.046 . . . . 0.0 108.972 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.44 -37.1 84.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.415 -0.803 . . . . 0.0 108.897 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -55.88 -39.42 71.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.553 -0.717 . . . . 0.0 109.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.37 -40.37 62.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.086 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 59.9 mtp180 -59.28 -45.44 91.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 t -76.92 -24.26 52.45 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.895 -1.128 . . . . 0.0 109.864 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.84 -50.57 72.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.129 -0.982 . . . . 0.0 110.446 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 61.1 p-90 -71.2 -14.18 62.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.733 -1.23 . . . . 0.0 110.017 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -89.26 -46.17 8.98 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.048 -1.032 . . . . 0.0 108.307 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -62.8 -22.58 66.73 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.67 95.81 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.453 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.95 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.4 mp -63.37 173.51 1.54 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.48 -13.3 54.7 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 4' ' ' LEU . 10.9 mp -69.52 152.88 44.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.262 -1.14 . . . . 0.0 108.257 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 7' ' ' SER . 51.8 mtp180 52.81 15.34 0.53 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 110.183 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -70.23 45.72 0.08 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 5' ' ' ARG . 24.8 t -171.6 -53.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.88 . . . . 0.0 109.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.53 -20.8 65.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.466 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.86 97.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.456 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -65.04 -45.92 83.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 0.0 109.444 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.5 -33.41 75.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.158 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -66.54 -52.54 44.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.04 -29.23 68.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 109.526 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.79 84.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.351 -0.843 . . . . 0.0 109.259 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -68.85 -50.95 45.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.29 -0.881 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.31 -35.51 75.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.302 -0.874 . . . . 0.0 109.047 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.49 -28.72 69.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.18 76.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 0.0 109.651 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.4 mp -65.42 -32.47 74.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.99 88.95 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.06 -33.88 59.59 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.409 -1.054 . . . . 0.0 109.226 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.395 -0.815 . . . . 0.0 109.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.51 -30.28 70.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -0.833 . . . . 0.0 109.093 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -61.2 -51.25 69.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.8 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.64 -32.97 74.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.409 -0.807 . . . . 0.0 108.975 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -58.52 -51.48 69.68 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.56 -0.713 . . . . 0.0 109.991 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -66.29 -29.98 70.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 111.232 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 mtm -56.35 -51.26 68.92 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.879 -1.138 . . . . 0.0 110.089 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -94.97 -22.49 17.93 Favored 'General case' 0 N--CA 1.512 2.633 0 O-C-N 121.097 -1.002 . . . . 0.0 110.504 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -90.67 45.36 1.25 Allowed 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.892 -1.13 . . . . 0.0 108.927 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -162.17 -21.32 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.04 -1.038 . . . . 0.0 109.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -59.72 125.49 23.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.868 . . . . 0.0 109.497 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.2 mp -65.25 -80.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.0 -113.67 0.41 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.35 163.1 16.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.331 -1.099 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' SER . 41.6 ttm180 -169.04 -35.33 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 109.228 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.78 72.78 0.09 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 0.0 109.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ARG . 26.1 t -171.61 -60.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.257 -0.902 . . . . 0.0 109.422 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.95 -20.59 65.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.427 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.95 94.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.07 -47.95 66.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 109.393 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.55 -34.59 78.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 109.197 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -66.05 -52.55 48.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.487 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.22 67.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.36 -0.838 . . . . 0.0 109.682 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.99 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.377 -0.827 . . . . 0.0 109.251 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -66.79 -51.83 51.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.845 . . . . 0.0 109.365 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.67 -34.33 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.283 -0.885 . . . . 0.0 109.163 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -32.6 72.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.542 -0.724 . . . . 0.0 109.273 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.7 81.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.197 -0.939 . . . . 0.0 109.875 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.8 mp -64.97 -31.98 73.47 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.2 99.53 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -75.86 -32.04 59.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -1.067 . . . . 0.0 108.701 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.79 -45.89 92.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.415 -0.803 . . . . 0.0 108.907 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.01 -36.18 79.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.522 -0.736 . . . . 0.0 109.187 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -55.08 -41.62 71.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.426 -0.796 . . . . 0.0 109.918 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -71.13 -40.07 71.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.904 . . . . 0.0 109.268 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -59.63 -48.99 79.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.908 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.454 ' OG1' ' NH2' ' A' ' 31' ' ' ARG . 8.9 t -72.98 -24.07 60.72 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.036 -1.04 . . . . 0.0 109.892 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.2 ttp -57.47 -51.14 70.66 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.378 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -93.01 -25.1 18.11 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.009 -1.057 . . . . 0.0 109.905 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -87.07 44.91 1.21 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.049 -1.032 . . . . 0.0 109.001 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' NH2' ' OG1' ' A' ' 27' ' ' THR . 39.8 ttm180 -155.69 -38.01 0.08 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.187 -0.946 . . . . 0.0 108.768 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -66.65 80.95 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.333 -0.855 . . . . 0.0 109.439 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.585 ' H1 ' ' CD ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.2 mp -65.39 78.06 0.06 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ARG . . . 59.8 -157.35 26.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.439 -1.465 . . . . 0.0 109.439 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tt -165.72 40.77 0.06 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.231 -1.158 . . . . 0.0 108.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -71.83 106.56 4.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 109.395 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -165.89 43.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.282 -0.886 . . . . 0.0 109.169 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.3 t -171.5 -39.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.329 -0.857 . . . . 0.0 109.18 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.05 65.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.346 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.38 -50.9 63.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 20.7 mp0 -62.38 -45.91 91.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 108.993 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.31 -47.46 85.94 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -57.6 -52.52 65.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.155 -0.965 . . . . 0.0 109.815 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -28.62 62.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.42 -0.8 . . . . 0.0 110.482 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.42 80.33 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 110.857 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -90.26 -30.96 17.2 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.889 -1.132 . . . . 0.0 109.909 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.11 -44.3 54.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.62 -41.94 87.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 109.369 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.27 82.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.592 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.66 -31.95 73.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 108.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.04 -27.97 72.94 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -36.39 66.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.468 -1.019 . . . . 0.0 109.276 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.45 -46.41 69.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.71 -29.04 70.31 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -68.85 -38.87 80.07 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.614 -0.679 . . . . 0.0 109.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -75.35 -40.13 58.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 108.947 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.65 -47.07 87.05 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.489 -0.757 . . . . 0.0 110.044 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -71.36 -23.77 61.96 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.933 -1.104 . . . . 0.0 109.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -61.3 -50.89 71.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 111.119 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -97.06 -14.41 21.6 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.019 -1.051 . . . . 0.0 111.065 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -84.68 -35.91 22.25 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.701 -1.249 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' NH2 . 54.5 ttt85 -63.7 -54.58 33.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.536 -0.728 . . . . 0.0 109.363 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.63 42.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.83 126.82 29.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 109.07 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.61 135.45 2.11 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 mt 56.23 13.73 1.32 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.364 -1.08 . . . . 0.0 109.644 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' SER . 36.9 mtt-85 -147.48 -80.76 0.14 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.189 -0.944 . . . . 0.0 109.008 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 7' ' ' SER . 4.4 p 66.68 -63.07 0.27 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.782 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 6' ' ' SER . 88.8 p -69.82 -65.5 0.71 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.073 -1.017 . . . . 0.0 109.485 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.84 63.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.534 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.42 84.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.76 -48.45 63.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.86 -39.53 72.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.271 -0.893 . . . . 0.0 108.776 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -64.04 -52.56 58.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.325 -0.859 . . . . 0.0 109.554 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.15 68.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.334 -0.853 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.54 78.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -71.31 -47.99 53.27 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.219 -0.925 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.82 -37.0 85.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.327 -0.858 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -61.82 -36.87 82.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 109.224 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.66 74.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.271 -0.893 . . . . 0.0 109.531 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -65.15 -31.74 73.09 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -41.36 99.59 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.51 -31.57 57.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.216 -1.167 . . . . 0.0 108.941 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.76 -48.3 80.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.571 -0.706 . . . . 0.0 110.731 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.64 -28.14 60.74 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.996 -1.065 . . . . 0.0 109.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -60.34 -42.81 96.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.288 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -70.72 -34.32 71.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -0.936 . . . . 0.0 108.775 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -56.62 -45.8 81.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.767 . . . . 0.0 109.937 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -72.9 -25.76 61.18 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.996 -1.065 . . . . 0.0 109.369 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ARG . 13.1 tmm? -68.9 -47.84 64.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.82 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -61.93 -19.71 63.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.178 -0.951 . . . . 0.0 109.805 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -93.71 -48.96 6.08 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.19 -54.8 12.94 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER 58.44 103.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 109.266 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.63 147.45 53.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.369 -0.832 . . . . 0.0 109.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.43 -163.15 30.37 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.44 -24.25 67.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.299 -1.118 . . . . 0.0 108.979 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -62.97 -68.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 108.842 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -67.86 68.6 0.11 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 0.0 109.555 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ARG . 87.6 p -169.14 -44.15 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.241 -0.912 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.63 65.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.511 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.42 98.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 109.452 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -65.7 -50.42 64.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.399 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -50.19 73.77 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -55.46 -52.43 63.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.103 -0.998 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.21 71.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.136 -0.978 . . . . 0.0 110.331 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.33 -31.52 65.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.67 -60.67 3.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.422 -0.798 . . . . 0.0 109.876 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.33 -25.12 68.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 109.873 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.94 -41.43 86.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.932 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.41 -42.62 82.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.887 . . . . 0.0 109.831 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.16 -28.57 69.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 0.0 108.796 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.33 -41.9 90.77 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -76.85 -32.03 57.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.341 -1.094 . . . . 0.0 109.643 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.19 -47.43 85.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.364 -0.835 . . . . 0.0 110.572 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.15 -27.96 61.09 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.932 -1.105 . . . . 0.0 109.175 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -60.74 -47.3 86.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.835 . . . . 0.0 109.5 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 89.0 mt-30 -68.14 -31.42 70.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -59.42 -46.03 89.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.304 -0.872 . . . . 0.0 109.623 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -74.97 -24.4 58.44 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.044 -1.035 . . . . 0.0 109.651 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 ttp -59.47 -50.68 72.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 110.971 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 59.9 p-90 -96.1 -15.09 22.38 Favored 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.957 -1.089 . . . . 0.0 111.123 -178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -87.38 -36.54 17.72 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.575 -1.328 . . . . 0.0 109.081 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.18 -56.89 9.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.452 -0.78 . . . . 0.0 109.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -66.96 -7.31 21.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.45 -7.4 13.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.327 -0.858 . . . . 0.0 109.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.9 75.4 1.71 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 6' ' ' SER . 11.2 mp -65.4 101.06 0.53 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -1.154 . . . . 0.0 108.266 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -69.7 46.87 0.07 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.369 -0.832 . . . . 0.0 109.6 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.5 m -165.66 -61.12 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.149 -0.969 . . . . 0.0 109.384 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 t -63.6 -31.29 72.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 109.562 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.19 68.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.0 109.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.17 99.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 109.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.09 -51.25 62.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.293 -0.88 . . . . 0.0 109.418 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.8 -39.28 93.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.3 m -62.18 -52.47 63.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.356 -0.84 . . . . 0.0 109.599 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.25 66.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.403 -0.811 . . . . 0.0 109.985 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.69 81.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -45.65 69.15 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.95 -36.28 83.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.171 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -62.93 -36.55 83.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 0.0 108.848 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.02 68.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.33 -0.856 . . . . 0.0 109.553 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.48 -32.08 73.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.89 . . . . 0.0 108.926 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -38.87 87.13 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.74 -32.37 59.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -1.036 . . . . 0.0 109.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.56 88.32 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 108.979 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.33 -36.12 83.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 108.99 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.87 -45.31 86.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.512 -0.742 . . . . 0.0 109.664 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -70.7 -35.1 72.59 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 71.7 ttt180 -59.1 -51.03 71.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -74.41 -23.89 59.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.101 -1.0 . . . . 0.0 110.005 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -55.75 -50.67 69.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 110.678 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 53.9 p-90 -73.08 -24.36 60.65 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.726 -1.234 . . . . 0.0 110.253 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -84.82 -34.41 22.72 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.907 -1.12 . . . . 0.0 108.726 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -67.59 -38.15 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -61.44 -44.39 97.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' C ' ' H ' ' A' ' 3' ' ' GLY . 21.4 mmt180 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.95 5.91 1.03 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 1' ' ' ARG . . . -172.39 134.34 2.97 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.49 -67.26 0.53 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.241 -1.152 . . . . 0.0 109.853 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -171.03 152.79 3.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.072 -1.017 . . . . 0.0 109.656 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ALA . 6.8 m 59.58 126.56 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.322 0.582 . . . . 0.0 111.052 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t 65.79 -58.86 0.31 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.193 0.521 . . . . 0.0 110.33 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -70.6 -21.73 62.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.957 -1.089 . . . . 0.0 109.344 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.03 -51.0 14.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.328 -0.857 . . . . 0.0 110.368 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.2 -33.65 75.95 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.856 -1.153 . . . . 0.0 109.556 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.87 -28.31 68.86 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -52.76 27.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.347 -0.845 . . . . 0.0 109.663 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -29.15 66.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 109.718 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.99 85.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.864 . . . . 0.0 109.487 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.95 -49.43 51.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.233 -0.917 . . . . 0.0 109.531 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.22 -37.24 86.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.366 -0.834 . . . . 0.0 109.08 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.4 -35.63 79.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 0.0 109.102 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.29 29.64 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.5 -32.07 73.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 108.765 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -29.2 74.39 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.78 -35.62 67.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -1.053 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -70.47 -46.68 63.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.899 . . . . 0.0 109.306 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.19 -29.02 70.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.16 -41.32 77.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.65 -0.656 . . . . 0.0 109.269 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -73.26 -38.3 66.0 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.194 -0.941 . . . . 0.0 109.198 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -63.97 -47.38 80.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.0 110.004 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -71.6 -26.04 62.42 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.854 -1.154 . . . . 0.0 109.5 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.42 ' SD ' ' NH2' ' A' ' 32' ' ' ARG . 13.8 tmm? -59.14 -39.85 83.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.65 -3.34 33.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.078 -1.014 . . . . 0.0 109.721 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -127.72 44.81 2.86 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.422 -0.799 . . . . 0.0 109.691 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.63 -8.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 108.968 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' SD ' ' A' ' 28' ' ' MET . 41.4 ttm180 -64.34 146.59 54.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.389 -0.819 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.4 OUTLIER -63.76 162.11 13.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.162 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.98 125.09 29.65 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp -169.71 -21.26 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.361 -1.082 . . . . 0.0 108.65 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -168.9 152.53 5.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.289 -0.882 . . . . 0.0 109.12 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t 53.05 40.9 31.97 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.328 -0.858 . . . . 0.0 110.089 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 t -171.53 -51.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -21.11 66.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.39 98.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.376 -0.828 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.21 -40.2 95.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.08 -40.85 74.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.921 . . . . 0.0 108.561 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 m -57.79 -52.45 65.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 109.968 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.71 70.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.958 -1.089 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.08 70.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.46 -59.74 3.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 109.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.75 -39.49 93.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.315 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -62.77 -34.02 76.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.24 77.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.301 -0.874 . . . . 0.0 109.419 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.34 -31.9 73.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 108.6 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.67 98.33 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -74.51 -32.21 62.43 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.485 -1.009 . . . . 0.0 108.49 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.01 -45.48 83.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 109.107 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.87 -33.73 74.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.785 -0.572 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -55.18 -51.92 64.98 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 109.806 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -59.5 -45.09 92.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.934 . . . . 0.0 108.848 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.87 -51.39 66.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.078 -1.014 . . . . 0.0 110.909 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -75.16 -24.0 57.85 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.768 -1.208 . . . . 0.0 110.431 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.2 ttp -57.42 -50.6 72.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.145 -0.972 . . . . 0.0 111.058 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -86.98 -17.98 31.78 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.589 -1.32 . . . . 0.0 111.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -83.7 -31.75 25.91 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.626 -1.297 . . . . 0.0 108.855 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.19 -42.66 96.57 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.525 -0.734 . . . . 0.0 109.398 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -67.35 88.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.855 . . . . 0.0 109.407 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.851 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.29 0.567 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.33 78.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.422 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.62 96.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 109.58 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.08 -51.92 53.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.79 -42.15 97.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 0.0 108.894 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -59.94 -52.69 64.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.312 -0.867 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.11 74.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -34.14 69.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.74 -44.71 69.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 108.833 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.74 -35.89 79.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.417 -0.802 . . . . 0.0 108.935 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -67.98 -25.8 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.98 69.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.155 -0.966 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.1 mp -65.04 -32.02 73.53 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.93 -41.64 98.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -76.03 -32.17 59.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.394 -1.062 . . . . 0.0 108.843 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.8 -45.88 90.95 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.454 -0.779 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.03 -37.86 86.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.633 -0.667 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -56.13 -46.44 79.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.585 -0.697 . . . . 0.0 110.109 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -72.13 -35.45 69.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.065 -1.022 . . . . 0.0 108.586 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.91 -49.45 77.77 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.45 -0.781 . . . . 0.0 109.934 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 31' ' ' ARG . 9.0 t -74.55 -23.58 58.81 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.112 -0.992 . . . . 0.0 110.023 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.5 ttp -59.78 -50.95 71.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.224 -0.922 . . . . 0.0 111.47 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -86.59 -10.58 53.61 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.576 -1.328 . . . . 0.0 111.158 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -86.88 -42.29 13.33 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.627 -1.295 . . . . 0.0 108.31 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' NE ' ' OG1' ' A' ' 27' ' ' THR . 99.4 mtt180 -66.65 -19.44 65.77 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 0.0 109.351 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.46 76.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 109.455 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -51.14 69.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 0.0 109.636 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.48 -44.7 90.2 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.478 -0.764 . . . . 0.0 109.526 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.93 -42.1 99.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -57.34 -52.2 66.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.688 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -35.07 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.0 110.094 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.73 73.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.894 . . . . 0.0 109.822 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.58 -58.55 4.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 110.16 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.11 -30.92 69.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.067 -1.021 . . . . 0.0 110.207 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.49 -33.52 72.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.09 -1.006 . . . . 0.0 109.142 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.35 60.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.322 -0.861 . . . . 0.0 109.289 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -65.58 -32.06 73.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.383 -0.823 . . . . 0.0 108.826 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -29.08 69.77 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.86 -33.7 60.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.534 -0.98 . . . . 0.0 109.123 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -70.17 -46.12 65.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.91 -30.94 71.93 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -65.5 -44.59 86.55 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.573 -0.704 . . . . 0.0 109.114 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 11.1 tt0 -65.76 -39.9 91.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.47 -0.769 . . . . 0.0 109.39 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -63.8 -50.77 67.66 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -65.66 -24.07 66.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.11 -50.88 70.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.064 -1.022 . . . . 0.0 110.931 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 64.2 p-90 -98.61 -12.61 20.95 Favored 'General case' 0 N--CA 1.513 2.691 0 O-C-N 121.048 -1.032 . . . . 0.0 110.872 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -87.77 -38.51 15.7 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.644 -1.285 . . . . 0.0 109.044 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -66.38 -37.74 85.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.507 -0.745 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.424 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.069 0.462 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -24.48 51.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -0.946 . . . . 0.0 109.799 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.84 59.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.07 -50.83 72.08 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.527 -0.733 . . . . 0.0 110.099 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 mp -60.95 -36.24 78.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.299 -0.876 . . . . 0.0 108.777 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -64.11 -52.55 58.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.06 68.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 109.709 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.75 79.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -71.18 -48.73 49.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.253 -0.904 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.95 -37.96 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.56 -32.54 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.331 -0.856 . . . . 0.0 109.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.23 -57.11 5.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.333 -0.855 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.53 -32.12 73.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 108.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.3 -26.38 71.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.22 -1.552 . . . . 0.0 109.22 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.69 -36.76 62.76 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.43 -1.041 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.71 -46.38 66.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.71 -34.87 76.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -59.8 -51.46 69.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.648 -0.657 . . . . 0.0 109.426 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.16 -44.42 95.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 109.446 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 58.2 mtp180 -57.39 -48.97 77.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.651 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -76.94 -23.92 52.39 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.641 -1.287 . . . . 0.0 110.194 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.63 -50.55 71.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -0.945 . . . . 0.0 110.532 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 51.8 p-90 -70.95 -23.25 62.19 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.713 -1.242 . . . . 0.0 109.98 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.15 -31.42 25.2 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.979 -1.075 . . . . 0.0 108.612 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -65.9 -45.92 80.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.531 -0.731 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.73 66.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.898 . . . . 0.0 109.26 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.34 98.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -64.25 -35.35 80.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.338 -0.851 . . . . 0.0 109.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.1 -36.0 82.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.838 . . . . 0.0 108.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.8 m -61.19 -52.8 63.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 109.758 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.71 76.74 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.159 -0.963 . . . . 0.0 110.069 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.29 70.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.351 -0.843 . . . . 0.0 109.216 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -66.24 -58.36 5.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.788 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.74 -38.64 91.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.317 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -65.56 -29.89 70.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.334 -0.854 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.78 80.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 109.663 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.21 -32.0 73.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.0 108.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.73 93.93 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -76.28 -32.59 58.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.368 -1.077 . . . . 0.0 109.342 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.57 -45.6 86.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.408 -0.808 . . . . 0.0 109.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.23 -31.54 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.002 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.41 -43.92 98.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.434 -0.791 . . . . 0.0 109.124 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.79 -44.36 96.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -0.839 . . . . 0.0 109.059 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.93 -51.34 69.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.399 -0.813 . . . . 0.0 109.44 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.5 p -65.7 -24.33 66.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -0.844 . . . . 0.0 110.14 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.55 -50.39 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -99.97 -12.22 19.96 Favored 'General case' 0 N--CA 1.513 2.717 0 O-C-N 121.214 -0.929 . . . . 0.0 110.953 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -88.93 -39.3 13.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.585 -1.322 . . . . 0.0 109.179 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -62.73 -38.58 91.06 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.44 -0.788 . . . . 0.0 109.611 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.359 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.24 69.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 0.0 109.407 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.25 92.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.321 -0.862 . . . . 0.0 109.458 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.02 -51.77 65.47 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.568 -0.707 . . . . 0.0 109.59 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.96 -34.66 78.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.0 m -58.77 -52.73 64.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.31 -0.869 . . . . 0.0 109.692 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.25 66.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.033 -1.042 . . . . 0.0 110.298 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.31 64.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.073 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.76 -51.33 67.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.506 -0.746 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.04 -36.04 78.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.269 -0.895 . . . . 0.0 108.749 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.27 -24.75 62.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.13 70.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.24 -0.912 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.5 mp -65.2 -30.86 71.79 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.68 -38.99 97.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -75.87 -34.32 60.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.344 -1.092 . . . . 0.0 109.286 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -66.56 -45.8 78.14 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 108.772 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.57 -34.28 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -59.84 -41.22 90.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.31 -40.57 86.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.748 . . . . 0.0 109.053 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -60.6 -48.12 83.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 108.876 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.1 p -71.52 -24.47 61.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -60.61 -50.44 73.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.136 -0.977 . . . . 0.0 110.87 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -96.09 -14.35 22.94 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 121.009 -1.057 . . . . 0.0 110.942 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.695 -1.253 . . . . 0.0 109.368 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -64.94 -54.85 24.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.451 -0.78 . . . . 0.0 109.596 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.303 -0.873 . . . . 0.0 109.363 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.85 65.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.797 . . . . 0.0 109.474 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.68 92.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.571 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -66.71 -49.42 66.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.342 -0.849 . . . . 0.0 109.513 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 mp -63.62 -48.1 78.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.913 . . . . 0.0 108.563 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -55.37 -52.36 63.78 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.26 -0.9 . . . . 0.0 110.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.19 61.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.281 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.35 77.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -67.08 -47.41 71.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.209 -0.932 . . . . 0.0 108.905 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.66 -36.98 83.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.397 -0.814 . . . . 0.0 109.006 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.19 -32.92 74.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.317 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.43 76.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.0 109.556 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.55 74.08 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.22 68.38 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 -31.96 61.79 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.494 -1.003 . . . . 0.0 109.07 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.04 -45.64 93.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.65 -37.76 85.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -56.65 -37.18 70.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.505 -0.747 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 10.1 tt0 -74.68 -39.71 61.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.877 . . . . 0.0 109.248 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.05 -48.25 82.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.3 -0.875 . . . . 0.0 109.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -70.85 -24.05 62.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.971 -1.081 . . . . 0.0 109.828 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.18 -50.68 72.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.272 -0.892 . . . . 0.0 110.916 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 62.1 p-90 -97.91 -14.19 20.8 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.03 -1.044 . . . . 0.0 111.002 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.12 -37.91 16.95 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.69 -1.256 . . . . 0.0 108.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -63.97 -45.77 87.64 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.394 -0.816 . . . . 0.0 109.468 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.873 . . . . 0.0 109.511 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.32 -20.42 28.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.183 -0.948 . . . . 0.0 109.768 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.31 82.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 109.765 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -64.72 -40.9 96.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.444 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.6 mm? -71.15 -29.78 65.64 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -64.34 -52.5 58.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.352 -0.843 . . . . 0.0 109.484 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.46 68.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.681 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.87 79.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.46 -44.55 70.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.27 -35.23 80.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.36 -33.0 74.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.433 -0.792 . . . . 0.0 109.374 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.39 76.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 109.709 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -31.95 73.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.906 . . . . 0.0 108.765 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.82 -40.13 93.63 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.99 -33.22 59.72 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.327 -1.102 . . . . 0.0 109.327 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.54 -46.05 81.06 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.81 -37.14 86.62 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -58.23 -36.83 73.76 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.428 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.18 -40.22 59.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.355 -0.84 . . . . 0.0 109.198 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.843 . . . . 0.0 109.72 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -74.11 -23.91 59.38 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.976 -1.077 . . . . 0.0 109.939 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -60.48 -50.78 72.2 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -92.3 -17.4 24.8 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.814 -1.179 . . . . 0.0 111.07 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -83.78 -38.57 21.13 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.719 -1.238 . . . . 0.0 108.776 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -64.72 -38.59 91.52 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.517 -0.74 . . . . 0.0 109.352 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.438 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.56 72.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.563 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB3' HE22 ' A' ' 10' ' ' GLN . . . -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -59.76 -47.19 86.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.182 -0.949 . . . . 0.0 108.989 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.09 -37.41 87.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -63.45 -52.46 61.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 109.496 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.2 69.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.377 -0.827 . . . . 0.0 109.759 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -71.54 -46.83 58.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.195 -0.941 . . . . 0.0 109.387 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.59 -37.75 87.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.19 -32.38 72.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.94 71.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.366 -0.834 . . . . 0.0 109.625 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.24 -28.4 69.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.293 -0.879 . . . . 0.0 108.881 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.09 -30.03 69.54 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.03 -36.04 59.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.581 -0.953 . . . . 0.0 109.258 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.52 -47.35 70.19 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 108.746 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -31.18 71.44 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -64.92 -47.98 75.76 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.44 -0.787 . . . . 0.0 109.334 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 26.8 mt-30 -65.42 -41.26 93.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.857 . . . . 0.0 109.349 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.81 -48.36 80.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.0 109.089 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.1 p -69.26 -24.25 63.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.352 -0.842 . . . . 0.0 109.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.76 -50.62 71.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.905 . . . . 0.0 110.995 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 60.8 p-90 -97.74 -12.56 22.16 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.103 -0.998 . . . . 0.0 110.876 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -88.31 -41.96 12.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.676 -1.265 . . . . 0.0 108.897 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -62.66 -12.69 24.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.499 -0.751 . . . . 0.0 109.352 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 109.581 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.7 66.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.868 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.4 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.68 -49.92 55.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 109.236 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.09 -50.48 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.2 m -57.36 -52.62 64.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.128 -0.982 . . . . 0.0 109.803 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.48 -29.93 62.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.404 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.98 93.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.0 109.485 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.99 -50.6 40.06 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -0.931 . . . . 0.0 108.64 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -58.72 -36.27 74.01 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.088 -1.008 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.25 -30.49 71.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.463 -0.773 . . . . 0.0 109.556 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.54 77.28 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.185 -0.947 . . . . 0.0 109.936 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.3 mp -65.27 -32.01 73.45 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.19 -39.74 88.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.11 -33.01 59.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.407 -1.055 . . . . 0.0 109.54 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -45.97 78.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.27 -0.893 . . . . 0.0 109.279 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.39 -36.12 82.65 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.71 -44.55 93.67 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.488 -0.758 . . . . 0.0 109.247 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 27.3 mt-30 -70.61 -34.95 72.67 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -60.0 -51.42 69.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.518 -0.739 . . . . 0.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -72.12 -24.0 61.41 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -57.77 -51.13 70.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 110.529 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 57.5 p-90 -93.2 -24.75 18.1 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.94 -1.1 . . . . 0.0 109.808 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -87.12 56.21 3.9 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.967 -1.083 . . . . 0.0 108.68 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -164.75 -36.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.184 -0.948 . . . . 0.0 109.101 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.866 . . . . 0.0 109.407 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.1 67.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.85 . . . . 0.0 109.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.75 99.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.37 -0.831 . . . . 0.0 109.478 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -67.82 -44.52 77.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.271 -0.893 . . . . 0.0 109.363 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -65.43 -40.24 93.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.0 109.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -65.69 -52.64 49.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.38 -0.825 . . . . 0.0 109.337 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -29.13 67.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.598 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.86 82.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 0.0 109.45 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.75 -47.5 62.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 109.527 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.66 -35.94 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.063 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -66.67 -30.7 71.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.375 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.99 89.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.532 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.53 -31.91 73.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 108.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.54 -39.51 86.77 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.08 -32.6 59.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.396 -1.061 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.34 -45.68 86.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.324 -0.86 . . . . 0.0 108.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.51 -37.79 88.66 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -59.64 -38.27 80.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 88.9 mt-30 -75.4 -37.64 60.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.56 -48.03 83.23 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.819 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -73.56 -23.82 60.02 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.078 -1.014 . . . . 0.0 109.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.3 ttp -61.98 -50.88 70.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.136 -0.977 . . . . 0.0 111.266 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 58.0 p-90 -94.52 -15.15 24.4 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.921 -1.112 . . . . 0.0 110.905 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -85.14 -37.32 20.34 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.65 -1.281 . . . . 0.0 108.461 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -78.19 45.59 0.55 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.081 -1.012 . . . . 0.0 109.249 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -21.94 62.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.6 76.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -0.902 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.55 96.16 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.426 -0.796 . . . . 0.0 109.373 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.7 mm? -69.46 -35.97 76.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.219 -0.926 . . . . 0.0 108.577 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.9 m -60.09 -52.57 64.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.385 -0.822 . . . . 0.0 109.482 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.902 . . . . 0.0 109.75 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.04 -32.23 53.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.105 -0.997 . . . . 0.0 109.903 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.15 -44.25 60.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.26 -0.9 . . . . 0.0 108.731 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.76 -38.33 90.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.059 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.99 -24.56 64.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.211 -0.931 . . . . 0.0 108.667 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.66 79.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.157 -0.965 . . . . 0.0 109.777 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.2 mp -65.12 -32.15 73.71 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.68 99.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 20.0 t70 -75.95 -32.17 59.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.409 -1.054 . . . . 0.0 108.504 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.76 -45.37 89.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.052 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.55 -33.17 72.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.715 -0.615 . . . . 0.0 109.608 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -55.07 -50.08 70.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.452 -0.78 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 3.2 mp0 -66.84 -33.42 75.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.089 -1.007 . . . . 0.0 108.811 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -63.89 -50.65 67.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.87 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.7 t -72.21 -24.47 61.41 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.023 -1.048 . . . . 0.0 109.879 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.39 -49.83 76.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.206 -0.934 . . . . 0.0 109.747 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CZ3' ' NH2' ' A' ' 32' ' ' ARG . 87.4 m95 -64.94 -36.6 84.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.631 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -81.85 29.08 0.4 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.131 -0.981 . . . . 0.0 109.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -164.47 47.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.0 109.008 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' CZ3' ' A' ' 29' ' ' TRP . 51.5 ttp180 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -20.67 66.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.53 93.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 109.593 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.62 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 3.8 mp0 -63.93 -47.83 78.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 109.24 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -65.54 -36.59 84.24 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.5 m -57.61 -52.47 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 109.707 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -32.69 66.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.76 72.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -67.97 -59.72 3.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.241 -0.912 . . . . 0.0 110.154 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.8 -30.45 69.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.14 -0.975 . . . . 0.0 110.259 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -71.9 -48.89 42.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.993 -1.067 . . . . 0.0 109.277 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -31.85 72.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 109.441 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.53 -32.2 73.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.237 -0.915 . . . . 0.0 108.906 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.09 86.24 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.25 -32.47 62.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.422 -1.046 . . . . 0.0 108.972 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.44 -37.1 84.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.415 -0.803 . . . . 0.0 108.897 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -55.88 -39.42 71.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.553 -0.717 . . . . 0.0 109.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.37 -40.37 62.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.086 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 59.9 mtp180 -59.28 -45.44 91.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 t -76.92 -24.26 52.45 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.895 -1.128 . . . . 0.0 109.864 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.84 -50.57 72.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.129 -0.982 . . . . 0.0 110.446 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 61.1 p-90 -71.2 -14.18 62.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.733 -1.23 . . . . 0.0 110.017 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -89.26 -46.17 8.98 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.048 -1.032 . . . . 0.0 108.307 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -62.8 -22.58 66.73 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.453 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.53 -20.8 65.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.466 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.86 97.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.456 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -65.04 -45.92 83.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 0.0 109.444 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.5 -33.41 75.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.158 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -66.54 -52.54 44.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.04 -29.23 68.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 109.526 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.79 84.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.351 -0.843 . . . . 0.0 109.259 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -68.85 -50.95 45.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.29 -0.881 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.31 -35.51 75.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.302 -0.874 . . . . 0.0 109.047 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.49 -28.72 69.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.18 76.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 0.0 109.651 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.4 mp -65.42 -32.47 74.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.99 88.95 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.06 -33.88 59.59 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.409 -1.054 . . . . 0.0 109.226 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.395 -0.815 . . . . 0.0 109.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.51 -30.28 70.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -0.833 . . . . 0.0 109.093 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -61.2 -51.25 69.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.8 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.64 -32.97 74.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.409 -0.807 . . . . 0.0 108.975 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -58.52 -51.48 69.68 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.56 -0.713 . . . . 0.0 109.991 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -66.29 -29.98 70.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 111.232 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 mtm -56.35 -51.26 68.92 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.879 -1.138 . . . . 0.0 110.089 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -94.97 -22.49 17.93 Favored 'General case' 0 N--CA 1.512 2.633 0 O-C-N 121.097 -1.002 . . . . 0.0 110.504 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -90.67 45.36 1.25 Allowed 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.892 -1.13 . . . . 0.0 108.927 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -162.17 -21.32 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.04 -1.038 . . . . 0.0 109.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.868 . . . . 0.0 109.497 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.95 -20.59 65.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.427 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.95 94.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.07 -47.95 66.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 109.393 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.55 -34.59 78.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 109.197 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -66.05 -52.55 48.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.487 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.22 67.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.36 -0.838 . . . . 0.0 109.682 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.99 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.377 -0.827 . . . . 0.0 109.251 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -66.79 -51.83 51.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.845 . . . . 0.0 109.365 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.67 -34.33 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.283 -0.885 . . . . 0.0 109.163 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -32.6 72.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.542 -0.724 . . . . 0.0 109.273 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.7 81.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.197 -0.939 . . . . 0.0 109.875 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.8 mp -64.97 -31.98 73.47 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.2 99.53 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -75.86 -32.04 59.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -1.067 . . . . 0.0 108.701 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.79 -45.89 92.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.415 -0.803 . . . . 0.0 108.907 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.01 -36.18 79.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.522 -0.736 . . . . 0.0 109.187 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -55.08 -41.62 71.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.426 -0.796 . . . . 0.0 109.918 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.13 -40.07 71.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.904 . . . . 0.0 109.268 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -59.63 -48.99 79.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.908 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.454 ' OG1' ' NH2' ' A' ' 31' ' ' ARG . 8.9 t -72.98 -24.07 60.72 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.036 -1.04 . . . . 0.0 109.892 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.2 ttp -57.47 -51.14 70.66 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.378 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -93.01 -25.1 18.11 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.009 -1.057 . . . . 0.0 109.905 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -87.07 44.91 1.21 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.049 -1.032 . . . . 0.0 109.001 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' NH2' ' OG1' ' A' ' 27' ' ' THR . 39.8 ttm180 -155.69 -38.01 0.08 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.187 -0.946 . . . . 0.0 108.768 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.333 -0.855 . . . . 0.0 109.439 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.05 65.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.346 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.38 -50.9 63.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 4.6 mp0 -62.38 -45.91 91.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 108.993 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.31 -47.46 85.94 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -57.6 -52.52 65.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.155 -0.965 . . . . 0.0 109.815 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -28.62 62.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.42 -0.8 . . . . 0.0 110.482 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.42 80.33 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 110.857 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -90.26 -30.96 17.2 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.889 -1.132 . . . . 0.0 109.909 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.11 -44.3 54.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.62 -41.94 87.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 109.369 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.27 82.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.592 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.66 -31.95 73.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 108.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.04 -27.97 72.94 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -36.39 66.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.468 -1.019 . . . . 0.0 109.276 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.45 -46.41 69.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.71 -29.04 70.31 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -68.85 -38.87 80.07 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.614 -0.679 . . . . 0.0 109.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.35 -40.13 58.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 108.947 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.65 -47.07 87.05 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.489 -0.757 . . . . 0.0 110.044 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -71.36 -23.77 61.96 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.933 -1.104 . . . . 0.0 109.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -61.3 -50.89 71.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 111.119 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -97.06 -14.41 21.6 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.019 -1.051 . . . . 0.0 111.065 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -84.68 -35.91 22.25 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.701 -1.249 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -63.7 -54.58 33.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.536 -0.728 . . . . 0.0 109.363 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.84 63.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.534 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.42 84.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.76 -48.45 63.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.86 -39.53 72.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.271 -0.893 . . . . 0.0 108.776 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -64.04 -52.56 58.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.325 -0.859 . . . . 0.0 109.554 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.15 68.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.334 -0.853 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.54 78.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -71.31 -47.99 53.27 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.219 -0.925 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.82 -37.0 85.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.327 -0.858 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -61.82 -36.87 82.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 109.224 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.66 74.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.271 -0.893 . . . . 0.0 109.531 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -65.15 -31.74 73.09 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -41.36 99.59 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.51 -31.57 57.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.216 -1.167 . . . . 0.0 108.941 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.76 -48.3 80.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.571 -0.706 . . . . 0.0 110.731 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.64 -28.14 60.74 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.996 -1.065 . . . . 0.0 109.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -60.34 -42.81 96.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.288 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -70.72 -34.32 71.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -0.936 . . . . 0.0 108.775 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -56.62 -45.8 81.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.767 . . . . 0.0 109.937 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -72.9 -25.76 61.18 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.996 -1.065 . . . . 0.0 109.369 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ARG . 13.1 tmm? -68.9 -47.84 64.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.82 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -61.93 -19.71 63.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.178 -0.951 . . . . 0.0 109.805 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -93.71 -48.96 6.08 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.19 -54.8 12.94 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 109.266 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.63 65.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.511 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.42 98.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 109.452 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -65.7 -50.42 64.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.399 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -50.19 73.77 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -55.46 -52.43 63.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.103 -0.998 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.21 71.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.136 -0.978 . . . . 0.0 110.331 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.33 -31.52 65.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.67 -60.67 3.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.422 -0.798 . . . . 0.0 109.876 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.33 -25.12 68.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 109.873 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.94 -41.43 86.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.932 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.41 -42.62 82.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.887 . . . . 0.0 109.831 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.16 -28.57 69.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 0.0 108.796 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.33 -41.9 90.77 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -76.85 -32.03 57.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.341 -1.094 . . . . 0.0 109.643 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.19 -47.43 85.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.364 -0.835 . . . . 0.0 110.572 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.15 -27.96 61.09 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.932 -1.105 . . . . 0.0 109.175 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -60.74 -47.3 86.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.835 . . . . 0.0 109.5 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 24.9 mt-30 -68.14 -31.42 70.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -59.42 -46.03 89.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.304 -0.872 . . . . 0.0 109.623 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -74.97 -24.4 58.44 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.044 -1.035 . . . . 0.0 109.651 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 ttp -59.47 -50.68 72.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 110.971 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 59.9 p-90 -96.1 -15.09 22.38 Favored 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.957 -1.089 . . . . 0.0 111.123 -178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -87.38 -36.54 17.72 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.575 -1.328 . . . . 0.0 109.081 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.18 -56.89 9.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.452 -0.78 . . . . 0.0 109.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.263 0.554 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.19 68.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.0 109.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.17 99.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 109.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.09 -51.25 62.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.293 -0.88 . . . . 0.0 109.418 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.8 -39.28 93.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.3 m -62.18 -52.47 63.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.356 -0.84 . . . . 0.0 109.599 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.25 66.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.403 -0.811 . . . . 0.0 109.985 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.69 81.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -45.65 69.15 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.95 -36.28 83.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.171 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -62.93 -36.55 83.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 0.0 108.848 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.02 68.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.33 -0.856 . . . . 0.0 109.553 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.48 -32.08 73.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.89 . . . . 0.0 108.926 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -38.87 87.13 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.74 -32.37 59.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -1.036 . . . . 0.0 109.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.56 88.32 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 108.979 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.33 -36.12 83.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 108.99 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.87 -45.31 86.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.512 -0.742 . . . . 0.0 109.664 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -70.7 -35.1 72.59 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 71.7 ttt180 -59.1 -51.03 71.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -74.41 -23.89 59.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.101 -1.0 . . . . 0.0 110.005 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -55.75 -50.67 69.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 110.678 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 53.9 p-90 -73.08 -24.36 60.65 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.726 -1.234 . . . . 0.0 110.253 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -84.82 -34.41 22.72 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.907 -1.12 . . . . 0.0 108.726 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -67.59 -38.15 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 121.193 0.521 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.6 -21.73 62.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.957 -1.089 . . . . 0.0 109.344 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.03 -51.0 14.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.328 -0.857 . . . . 0.0 110.368 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.2 -33.65 75.95 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.856 -1.153 . . . . 0.0 109.556 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.87 -28.31 68.86 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -52.76 27.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.347 -0.845 . . . . 0.0 109.663 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -29.15 66.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 109.718 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.99 85.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.864 . . . . 0.0 109.487 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.95 -49.43 51.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.233 -0.917 . . . . 0.0 109.531 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.22 -37.24 86.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.366 -0.834 . . . . 0.0 109.08 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.4 -35.63 79.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 0.0 109.102 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.29 29.64 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.5 -32.07 73.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 108.765 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -29.2 74.39 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.78 -35.62 67.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -1.053 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -70.47 -46.68 63.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.899 . . . . 0.0 109.306 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.19 -29.02 70.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.16 -41.32 77.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.65 -0.656 . . . . 0.0 109.269 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.26 -38.3 66.0 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.194 -0.941 . . . . 0.0 109.198 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -63.97 -47.38 80.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.0 110.004 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -71.6 -26.04 62.42 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.854 -1.154 . . . . 0.0 109.5 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.42 ' SD ' ' NH2' ' A' ' 32' ' ' ARG . 13.8 tmm? -59.14 -39.85 83.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.65 -3.34 33.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.078 -1.014 . . . . 0.0 109.721 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -127.72 44.81 2.86 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.422 -0.799 . . . . 0.0 109.691 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.63 -8.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 108.968 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' SD ' ' A' ' 28' ' ' MET . 41.4 ttm180 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.389 -0.819 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -21.11 66.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.39 98.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.376 -0.828 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.21 -40.2 95.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.08 -40.85 74.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.921 . . . . 0.0 108.561 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 m -57.79 -52.45 65.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 109.968 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.71 70.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.958 -1.089 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.08 70.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.46 -59.74 3.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 109.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.75 -39.49 93.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.315 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -62.77 -34.02 76.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.24 77.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.301 -0.874 . . . . 0.0 109.419 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.34 -31.9 73.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 108.6 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.67 98.33 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 71.6 m-20 -74.51 -32.21 62.43 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.485 -1.009 . . . . 0.0 108.49 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.01 -45.48 83.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 109.107 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.87 -33.73 74.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.785 -0.572 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -55.18 -51.92 64.98 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 109.806 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 2.0 mp0 -59.5 -45.09 92.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.934 . . . . 0.0 108.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.87 -51.39 66.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.078 -1.014 . . . . 0.0 110.909 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -75.16 -24.0 57.85 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.768 -1.208 . . . . 0.0 110.431 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.2 ttp -57.42 -50.6 72.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.145 -0.972 . . . . 0.0 111.058 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -86.98 -17.98 31.78 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.589 -1.32 . . . . 0.0 111.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -83.7 -31.75 25.91 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.626 -1.297 . . . . 0.0 108.855 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.19 -42.66 96.57 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.525 -0.734 . . . . 0.0 109.398 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.855 . . . . 0.0 109.407 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 3' ' ' GLY . 72.2 ttt180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.6 mt 59.46 -79.73 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 0.0 109.741 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' ARG . . . -176.78 43.18 0.1 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.5 tp -64.46 79.01 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -1.115 . . . . 0.0 108.911 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' SER . 44.3 ttp180 -168.88 154.61 6.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.31 -0.869 . . . . 0.0 109.324 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t 53.02 -87.18 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.6 -0.687 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' ARG . 44.0 t -56.92 -9.71 0.89 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.081 -1.012 . . . . 0.0 109.703 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.33 78.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.422 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.62 96.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.371 -0.83 . . . . 0.0 109.58 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.08 -51.92 53.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.79 -42.15 97.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 0.0 108.894 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -59.94 -52.69 64.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.312 -0.867 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.11 74.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.67 -34.14 69.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.74 -44.71 69.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 108.833 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.74 -35.89 79.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.417 -0.802 . . . . 0.0 108.935 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -67.98 -25.8 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.97 -45.98 69.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.155 -0.966 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.1 mp -65.04 -32.02 73.53 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.93 -41.64 98.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -76.03 -32.17 59.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.394 -1.062 . . . . 0.0 108.843 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.8 -45.88 90.95 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.454 -0.779 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.03 -37.86 86.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.633 -0.667 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -56.13 -46.44 79.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.585 -0.697 . . . . 0.0 110.109 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -72.13 -35.45 69.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.065 -1.022 . . . . 0.0 108.586 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.91 -49.45 77.77 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.45 -0.781 . . . . 0.0 109.934 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.452 ' OG1' ' NE ' ' A' ' 31' ' ' ARG . 9.0 t -74.55 -23.58 58.81 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.112 -0.992 . . . . 0.0 110.023 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.5 ttp -59.78 -50.95 71.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.224 -0.922 . . . . 0.0 111.47 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -86.59 -10.58 53.61 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.576 -1.328 . . . . 0.0 111.158 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -86.88 -42.29 13.33 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.627 -1.295 . . . . 0.0 108.31 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' NE ' ' OG1' ' A' ' 27' ' ' THR . 99.4 mtt180 -66.65 -19.44 65.77 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -60.15 104.0 0.27 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 0.0 109.351 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.4 mt -65.4 160.84 21.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 0.0 109.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.42 163.06 0.45 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.27 72.58 0.49 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.301 -1.117 . . . . 0.0 109.628 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -169.04 -23.61 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.215 -0.928 . . . . 0.0 109.238 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -63.24 -48.82 76.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.83 . . . . 0.0 109.499 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -64.21 -38.28 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.503 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.46 76.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 109.455 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -51.14 69.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 0.0 109.636 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.48 -44.7 90.2 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.478 -0.764 . . . . 0.0 109.526 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.93 -42.1 99.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -57.34 -52.2 66.32 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.688 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -35.07 67.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.0 110.094 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.73 73.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.269 -0.894 . . . . 0.0 109.822 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.58 -58.55 4.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 110.16 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.11 -30.92 69.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.067 -1.021 . . . . 0.0 110.207 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.49 -33.52 72.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.09 -1.006 . . . . 0.0 109.142 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.35 60.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.322 -0.861 . . . . 0.0 109.289 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -65.58 -32.06 73.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.383 -0.823 . . . . 0.0 108.826 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -29.08 69.77 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.86 -33.7 60.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.534 -0.98 . . . . 0.0 109.123 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -70.17 -46.12 65.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.91 -30.94 71.93 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -65.5 -44.59 86.55 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.573 -0.704 . . . . 0.0 109.114 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 11.1 tt0 -65.76 -39.9 91.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.47 -0.769 . . . . 0.0 109.39 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -63.8 -50.77 67.66 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.3 p -65.66 -24.07 66.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.7 ttp -62.11 -50.88 70.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.064 -1.022 . . . . 0.0 110.931 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 64.2 p-90 -98.61 -12.61 20.95 Favored 'General case' 0 N--CA 1.513 2.691 0 O-C-N 121.048 -1.032 . . . . 0.0 110.872 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -87.77 -38.51 15.7 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.644 -1.285 . . . . 0.0 109.044 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -66.38 -37.74 85.95 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.507 -0.745 . . . . 0.0 109.528 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 -61.49 -27.59 68.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.424 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.38 -4.97 2.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.71 142.01 5.7 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.9 mt -65.33 -34.62 78.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 0.0 109.25 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 56.43 48.25 17.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.301 -0.875 . . . . 0.0 109.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -77.66 -82.73 0.08 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.127 -0.983 . . . . 0.0 109.639 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.3 m -60.07 -35.75 75.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.853 . . . . 0.0 109.782 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -24.48 51.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -0.946 . . . . 0.0 109.799 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.84 59.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.07 -50.83 72.08 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.527 -0.733 . . . . 0.0 110.099 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 mp -60.95 -36.24 78.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.299 -0.876 . . . . 0.0 108.777 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -64.11 -52.55 58.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 0.0 109.426 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.06 68.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 109.709 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.75 79.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -71.18 -48.73 49.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.253 -0.904 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.95 -37.96 89.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.56 -32.54 71.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.331 -0.856 . . . . 0.0 109.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.23 -57.11 5.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.333 -0.855 . . . . 0.0 109.744 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.53 -32.12 73.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 108.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.3 -26.38 71.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.22 -1.552 . . . . 0.0 109.22 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.69 -36.76 62.76 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.43 -1.041 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.71 -46.38 66.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.71 -34.87 76.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -59.8 -51.46 69.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.648 -0.657 . . . . 0.0 109.426 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.16 -44.42 95.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 109.446 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 58.2 mtp180 -57.39 -48.97 77.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 110.651 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -76.94 -23.92 52.39 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 120.641 -1.287 . . . . 0.0 110.194 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.63 -50.55 71.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -0.945 . . . . 0.0 110.532 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 51.8 p-90 -70.95 -23.25 62.19 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.713 -1.242 . . . . 0.0 109.98 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.15 -31.42 25.2 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.979 -1.075 . . . . 0.0 108.612 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -65.9 -45.92 80.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.531 -0.731 . . . . 0.0 109.474 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.99 138.58 58.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.827 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.3 mp -63.92 -173.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 108.611 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.33 53.69 37.67 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 4' ' ' LEU . 10.9 mp -69.91 -37.46 75.98 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.263 -1.139 . . . . 0.0 108.376 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 52.97 -174.93 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.476 -0.765 . . . . 0.0 110.082 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.3 t 58.43 111.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.75 -0.594 . . . . 0.0 110.171 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t 68.46 -48.56 0.55 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.62 -0.675 . . . . 0.0 109.719 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -64.05 -20.73 66.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.898 . . . . 0.0 109.26 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.34 98.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -64.25 -35.35 80.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.338 -0.851 . . . . 0.0 109.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.1 -36.0 82.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.36 -0.838 . . . . 0.0 108.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.8 m -61.19 -52.8 63.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 109.758 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.48 -44.71 76.74 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.159 -0.963 . . . . 0.0 110.069 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.29 70.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.351 -0.843 . . . . 0.0 109.216 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -66.24 -58.36 5.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.788 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.74 -38.64 91.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.317 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -65.56 -29.89 70.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.334 -0.854 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.65 -40.78 80.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.902 . . . . 0.0 109.663 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.21 -32.0 73.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 0.0 108.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.73 93.93 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -76.28 -32.59 58.87 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.368 -1.077 . . . . 0.0 109.342 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.57 -45.6 86.33 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.408 -0.808 . . . . 0.0 109.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.23 -31.54 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.002 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.41 -43.92 98.03 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.434 -0.791 . . . . 0.0 109.124 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.79 -44.36 96.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -0.839 . . . . 0.0 109.059 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.93 -51.34 69.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.399 -0.813 . . . . 0.0 109.44 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.5 p -65.7 -24.33 66.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.349 -0.844 . . . . 0.0 110.14 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.0 ttp -61.55 -50.39 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.07 -1.019 . . . . 0.0 110.595 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -99.97 -12.22 19.96 Favored 'General case' 0 N--CA 1.513 2.717 0 O-C-N 121.214 -0.929 . . . . 0.0 110.953 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -88.93 -39.3 13.86 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.585 -1.322 . . . . 0.0 109.179 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -62.73 -38.58 91.06 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.44 -0.788 . . . . 0.0 109.611 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -61.06 138.7 58.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.359 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -166.85 98.74 0.55 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.204 -0.935 . . . . 0.0 108.532 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.18 159.07 44.71 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.38 174.24 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.413 -1.051 . . . . 0.0 109.732 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -170.67 33.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.368 -0.832 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -171.55 -54.51 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.314 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -62.24 -16.17 51.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.321 -0.862 . . . . 0.0 109.416 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.24 69.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.297 -0.877 . . . . 0.0 109.407 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.25 92.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.321 -0.862 . . . . 0.0 109.458 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.02 -51.77 65.47 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.568 -0.707 . . . . 0.0 109.59 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.96 -34.66 78.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.0 m -58.77 -52.73 64.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.31 -0.869 . . . . 0.0 109.692 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.25 66.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.033 -1.042 . . . . 0.0 110.298 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.31 64.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.073 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.76 -51.33 67.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.506 -0.746 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.04 -36.04 78.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.269 -0.895 . . . . 0.0 108.749 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.27 -24.75 62.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -47.13 70.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.24 -0.912 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.5 mp -65.2 -30.86 71.79 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.68 -38.99 97.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -75.87 -34.32 60.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.344 -1.092 . . . . 0.0 109.286 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -66.56 -45.8 78.14 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 108.772 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.57 -34.28 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -59.84 -41.22 90.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.31 -40.57 86.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.748 . . . . 0.0 109.053 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -60.6 -48.12 83.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 108.876 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.1 p -71.52 -24.47 61.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -60.61 -50.44 73.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.136 -0.977 . . . . 0.0 110.87 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -96.09 -14.35 22.94 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 121.009 -1.057 . . . . 0.0 110.942 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.695 -1.253 . . . . 0.0 109.368 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -64.94 -54.85 24.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.451 -0.78 . . . . 0.0 109.596 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -59.9 126.78 28.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.303 -0.873 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.8 tp -170.19 127.13 0.83 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.62 0.88 9.14 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 4' ' ' LEU . 2.6 mm? 52.95 16.79 0.76 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.578 -0.954 . . . . 0.0 109.303 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -68.1 67.88 0.12 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.274 -0.891 . . . . 0.0 109.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 24.9 t -171.71 -36.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.889 . . . . 0.0 109.394 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.1 t -64.31 -31.18 72.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 0.0 109.447 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.85 65.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.797 . . . . 0.0 109.474 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.68 92.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.571 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -66.71 -49.42 66.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.342 -0.849 . . . . 0.0 109.513 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 mp -63.62 -48.1 78.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.913 . . . . 0.0 108.563 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -55.37 -52.36 63.78 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.26 -0.9 . . . . 0.0 110.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.19 61.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.281 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.35 77.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 109.307 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -67.08 -47.41 71.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.209 -0.932 . . . . 0.0 108.905 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.66 -36.98 83.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.397 -0.814 . . . . 0.0 109.006 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.19 -32.92 74.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.0 109.317 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.43 76.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.0 109.556 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -32.55 74.08 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.56 -39.22 68.38 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 -31.96 61.79 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.494 -1.003 . . . . 0.0 109.07 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.04 -45.64 93.94 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.65 -37.76 85.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -56.65 -37.18 70.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.505 -0.747 . . . . 0.0 109.748 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 10.1 tt0 -74.68 -39.71 61.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.877 . . . . 0.0 109.248 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.05 -48.25 82.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.3 -0.875 . . . . 0.0 109.771 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -70.85 -24.05 62.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.971 -1.081 . . . . 0.0 109.828 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.18 -50.68 72.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.272 -0.892 . . . . 0.0 110.916 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 62.1 p-90 -97.91 -14.19 20.8 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.03 -1.044 . . . . 0.0 111.002 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.12 -37.91 16.95 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 120.69 -1.256 . . . . 0.0 108.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' NH2 . 68.0 ttp85 -63.97 -45.77 87.64 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.394 -0.816 . . . . 0.0 109.468 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -68.77 43.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -0.873 . . . . 0.0 109.511 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.889 -1.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.577 ' H1 ' ' CD ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tt -167.13 110.66 0.7 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.245 -0.91 . . . . 0.0 108.569 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 5' ' ' ARG . . . 176.7 150.64 8.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.62 60.64 0.15 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.226 -1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.474 HH21 ' H2 ' ' A' ' 1' ' ' ARG . 44.7 mtt-85 -65.82 -141.41 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' ALA . 12.8 m 55.7 171.02 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.331 -0.855 . . . . 0.0 109.725 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.5 m 52.09 -88.86 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.373 -0.829 . . . . 0.0 110.242 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -57.32 -20.42 28.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.183 -0.948 . . . . 0.0 109.768 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.31 82.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.231 -0.918 . . . . 0.0 109.765 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -64.72 -40.9 96.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.444 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.6 mm? -71.15 -29.78 65.64 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -64.34 -52.5 58.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.352 -0.843 . . . . 0.0 109.484 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.46 68.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.681 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.87 79.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.46 -44.55 70.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.27 -35.23 80.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.313 -0.867 . . . . 0.0 108.923 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.36 -33.0 74.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.433 -0.792 . . . . 0.0 109.374 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.39 76.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 109.709 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -31.95 73.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.906 . . . . 0.0 108.765 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.82 -40.13 93.63 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.99 -33.22 59.72 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.327 -1.102 . . . . 0.0 109.327 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -65.54 -46.05 81.06 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.81 -37.14 86.62 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -58.23 -36.83 73.76 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.428 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.18 -40.22 59.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.355 -0.84 . . . . 0.0 109.198 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -59.86 -46.12 90.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.843 . . . . 0.0 109.72 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -74.11 -23.91 59.38 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.976 -1.077 . . . . 0.0 109.939 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -60.48 -50.78 72.2 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -92.3 -17.4 24.8 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.814 -1.179 . . . . 0.0 111.07 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -83.78 -38.57 21.13 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.719 -1.238 . . . . 0.0 108.776 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -64.72 -38.59 91.52 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.517 -0.74 . . . . 0.0 109.352 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -63.06 103.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.95 16.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.323 -0.86 . . . . 0.0 109.01 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 5' ' ' ARG . . . -63.32 -4.36 8.58 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.08 -59.65 0.43 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.774 -0.839 . . . . 0.0 108.979 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLY . 96.6 mtt180 51.82 179.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.232 -0.918 . . . . 0.0 110.625 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -170.77 -78.09 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.162 -0.961 . . . . 0.0 109.515 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -66.33 -31.03 71.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.304 -0.872 . . . . 0.0 109.519 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.56 72.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.563 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB3' HE22 ' A' ' 10' ' ' GLN . . . -61.89 -42.41 99.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -59.76 -47.19 86.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.182 -0.949 . . . . 0.0 108.989 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.09 -37.41 87.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -63.45 -52.46 61.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 109.496 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.2 69.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.377 -0.827 . . . . 0.0 109.759 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.416 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -71.54 -46.83 58.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.195 -0.941 . . . . 0.0 109.387 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.59 -37.75 87.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -0.824 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.19 -32.38 72.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.94 71.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.366 -0.834 . . . . 0.0 109.625 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.24 -28.4 69.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.293 -0.879 . . . . 0.0 108.881 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.09 -30.03 69.54 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.03 -36.04 59.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.581 -0.953 . . . . 0.0 109.258 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.52 -47.35 70.19 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 108.746 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -31.18 71.44 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -64.92 -47.98 75.76 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.44 -0.787 . . . . 0.0 109.334 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 26.8 mt-30 -65.42 -41.26 93.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.857 . . . . 0.0 109.349 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.81 -48.36 80.93 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.0 109.089 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.1 p -69.26 -24.25 63.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.352 -0.842 . . . . 0.0 109.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.76 -50.62 71.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.905 . . . . 0.0 110.995 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 60.8 p-90 -97.74 -12.56 22.16 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.103 -0.998 . . . . 0.0 110.876 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -88.31 -41.96 12.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.676 -1.265 . . . . 0.0 108.897 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -62.66 -12.69 24.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.499 -0.751 . . . . 0.0 109.352 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -57.89 127.33 31.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 109.581 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.2 mp -62.53 -73.49 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.35 -95.57 0.1 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.59 146.85 54.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.375 -1.074 . . . . 0.0 109.206 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -168.97 -21.52 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.339 -0.851 . . . . 0.0 109.291 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -62.55 -43.66 98.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.416 -0.802 . . . . 0.0 109.49 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -31.89 73.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.351 -0.843 . . . . 0.0 109.497 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.7 66.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.312 -0.868 . . . . 0.0 109.494 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.4 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.68 -49.92 55.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 109.236 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.09 -50.48 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.2 m -57.36 -52.62 64.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.128 -0.982 . . . . 0.0 109.803 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.48 -29.93 62.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.364 -0.835 . . . . 0.0 110.404 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.98 93.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.0 109.485 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -69.99 -50.6 40.06 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -0.931 . . . . 0.0 108.64 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -58.72 -36.27 74.01 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.088 -1.008 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -62.25 -30.49 71.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.463 -0.773 . . . . 0.0 109.556 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.54 77.28 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.185 -0.947 . . . . 0.0 109.936 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.3 mp -65.27 -32.01 73.45 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.19 -39.74 88.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.11 -33.01 59.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.407 -1.055 . . . . 0.0 109.54 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.34 -45.97 78.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.27 -0.893 . . . . 0.0 109.279 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.39 -36.12 82.65 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.71 -44.55 93.67 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.488 -0.758 . . . . 0.0 109.247 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 27.3 mt-30 -70.61 -34.95 72.67 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -60.0 -51.42 69.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.518 -0.739 . . . . 0.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -72.12 -24.0 61.41 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -57.77 -51.13 70.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 110.529 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.4 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 57.5 p-90 -93.2 -24.75 18.1 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.94 -1.1 . . . . 0.0 109.808 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -87.12 56.21 3.9 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.967 -1.083 . . . . 0.0 108.68 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -164.75 -36.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.184 -0.948 . . . . 0.0 109.101 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -62.01 131.27 49.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.866 . . . . 0.0 109.407 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.767 -1.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.573 ' HD2' ' H1 ' ' A' ' 1' ' ' ARG . 10.5 mpt_? . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.525 ' CD2' ' H ' ' A' ' 3' ' ' GLY . 0.5 OUTLIER -167.8 -154.47 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.525 ' H ' ' CD2' ' A' ' 2' ' ' LEU . . . -74.57 46.65 1.68 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 4' ' ' LEU . 11.0 mp -68.46 142.0 55.46 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.286 -1.126 . . . . 0.0 108.287 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -60.99 140.67 57.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.561 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 t -171.63 -74.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -64.87 -22.41 66.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.1 67.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.85 . . . . 0.0 109.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.75 99.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.37 -0.831 . . . . 0.0 109.478 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -67.82 -44.52 77.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.271 -0.893 . . . . 0.0 109.363 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -65.43 -40.24 93.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.0 109.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -65.69 -52.64 49.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.38 -0.825 . . . . 0.0 109.337 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -29.13 67.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.598 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.86 82.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 0.0 109.45 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.75 -47.5 62.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 109.527 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.66 -35.94 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.063 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -66.67 -30.7 71.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.375 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.99 89.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.3 -0.875 . . . . 0.0 109.532 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.53 -31.91 73.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 108.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.54 -39.51 86.77 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.08 -32.6 59.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.396 -1.061 . . . . 0.0 109.32 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.34 -45.68 86.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.324 -0.86 . . . . 0.0 108.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.51 -37.79 88.66 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -59.64 -38.27 80.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 88.9 mt-30 -75.4 -37.64 60.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.56 -48.03 83.23 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.819 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -73.56 -23.82 60.02 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.078 -1.014 . . . . 0.0 109.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.3 ttp -61.98 -50.88 70.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.136 -0.977 . . . . 0.0 111.266 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 58.0 p-90 -94.52 -15.15 24.4 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.921 -1.112 . . . . 0.0 110.905 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -85.14 -37.32 20.34 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.65 -1.281 . . . . 0.0 108.461 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -78.19 45.59 0.55 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -167.89 92.84 0.37 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.081 -1.012 . . . . 0.0 109.249 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.419 0 O-C-N 119.925 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.562 ' N ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.4 tp -169.94 135.9 1.45 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.27 -0.894 . . . . 0.0 108.668 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.39 -144.69 41.21 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.76 86.17 0.08 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.283 -1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -65.6 95.62 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -171.55 -72.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.318 -0.864 . . . . 0.0 109.499 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.0 p -60.96 -34.14 74.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.466 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 -21.94 62.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.6 76.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -0.902 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.55 96.16 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.426 -0.796 . . . . 0.0 109.373 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.7 mm? -69.46 -35.97 76.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.219 -0.926 . . . . 0.0 108.577 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.9 m -60.09 -52.57 64.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.385 -0.822 . . . . 0.0 109.482 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.256 -0.902 . . . . 0.0 109.75 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.04 -32.23 53.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.105 -0.997 . . . . 0.0 109.903 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.15 -44.25 60.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.26 -0.9 . . . . 0.0 108.731 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.76 -38.33 90.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.059 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.99 -24.56 64.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.211 -0.931 . . . . 0.0 108.667 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.66 79.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.157 -0.965 . . . . 0.0 109.777 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.2 mp -65.12 -32.15 73.71 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.68 99.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 20.0 t70 -75.95 -32.17 59.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.409 -1.054 . . . . 0.0 108.504 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.76 -45.37 89.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.052 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.55 -33.17 72.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.715 -0.615 . . . . 0.0 109.608 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -55.07 -50.08 70.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.452 -0.78 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 3.2 mp0 -66.84 -33.42 75.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.089 -1.007 . . . . 0.0 108.811 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -63.89 -50.65 67.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.87 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.7 t -72.21 -24.47 61.41 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.023 -1.048 . . . . 0.0 109.879 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.39 -49.83 76.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.206 -0.934 . . . . 0.0 109.747 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.42 ' CZ3' ' NH2' ' A' ' 32' ' ' ARG . 87.4 m95 -64.94 -36.6 84.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.631 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -81.85 29.08 0.4 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.131 -0.981 . . . . 0.0 109.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -164.47 47.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.0 109.008 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' CZ3' ' A' ' 29' ' ' TRP . 51.5 ttp180 -169.4 92.82 0.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.22 -0.925 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.248 0.547 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.65 -32.27 73.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.868 . . . . 0.0 109.093 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.06 -168.43 15.05 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 4' ' ' LEU . 10.3 mp 53.07 50.56 17.59 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.488 -1.007 . . . . 0.0 109.186 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' SER . 41.4 ttm180 -66.19 -34.87 79.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.184 -0.947 . . . . 0.0 109.386 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -66.6 72.79 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.0 109.493 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ARG . 59.7 p -170.2 -59.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.354 -0.841 . . . . 0.0 109.396 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -20.67 66.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.53 93.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 109.593 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.62 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 3.8 mp0 -63.93 -47.83 78.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 109.24 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -65.54 -36.59 84.24 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.5 m -57.61 -52.47 65.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 109.707 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -32.69 66.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 0.0 110.155 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.76 72.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -67.97 -59.72 3.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.241 -0.912 . . . . 0.0 110.154 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.8 -30.45 69.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.14 -0.975 . . . . 0.0 110.259 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -71.9 -48.89 42.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.993 -1.067 . . . . 0.0 109.277 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -31.85 72.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.325 -0.859 . . . . 0.0 109.441 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.53 -32.2 73.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.237 -0.915 . . . . 0.0 108.906 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.09 86.24 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.25 -32.47 62.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.422 -1.046 . . . . 0.0 108.972 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.75 -45.86 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.44 -37.1 84.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.415 -0.803 . . . . 0.0 108.897 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -55.88 -39.42 71.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.553 -0.717 . . . . 0.0 109.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.37 -40.37 62.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.086 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 59.9 mtp180 -59.28 -45.44 91.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 t -76.92 -24.26 52.45 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.895 -1.128 . . . . 0.0 109.864 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -56.84 -50.57 72.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.129 -0.982 . . . . 0.0 110.446 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 61.1 p-90 -71.2 -14.18 62.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.733 -1.23 . . . . 0.0 110.017 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -89.26 -46.17 8.98 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.048 -1.032 . . . . 0.0 108.307 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -62.8 -22.58 66.73 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.67 95.81 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 0.0 109.453 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.95 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.4 mp -63.37 173.51 1.54 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.48 -13.3 54.7 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 4' ' ' LEU . 10.9 mp -69.52 152.88 44.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.262 -1.14 . . . . 0.0 108.257 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 7' ' ' SER . 51.8 mtp180 52.81 15.34 0.53 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 110.183 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -70.23 45.72 0.08 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 5' ' ' ARG . 24.8 t -171.6 -53.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.88 . . . . 0.0 109.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.53 -20.8 65.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.89 . . . . 0.0 109.466 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.86 97.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.456 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -65.04 -45.92 83.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 0.0 109.444 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.5 -33.41 75.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.158 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -66.54 -52.54 44.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -0.87 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.04 -29.23 68.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 109.526 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.79 84.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.351 -0.843 . . . . 0.0 109.259 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -68.85 -50.95 45.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.29 -0.881 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.31 -35.51 75.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.302 -0.874 . . . . 0.0 109.047 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.49 -28.72 69.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.18 76.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.188 -0.945 . . . . 0.0 109.651 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.4 mp -65.42 -32.47 74.11 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.99 88.95 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.06 -33.88 59.59 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.409 -1.054 . . . . 0.0 109.226 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.395 -0.815 . . . . 0.0 109.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.51 -30.28 70.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.367 -0.833 . . . . 0.0 109.093 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -61.2 -51.25 69.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.8 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.64 -32.97 74.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.409 -0.807 . . . . 0.0 108.975 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -58.52 -51.48 69.68 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.56 -0.713 . . . . 0.0 109.991 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -66.29 -29.98 70.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 111.232 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 mtm -56.35 -51.26 68.92 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.879 -1.138 . . . . 0.0 110.089 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -94.97 -22.49 17.93 Favored 'General case' 0 N--CA 1.512 2.633 0 O-C-N 121.097 -1.002 . . . . 0.0 110.504 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.5 ttt-85 -90.67 45.36 1.25 Allowed 'General case' 0 N--CA 1.511 2.59 0 O-C-N 120.892 -1.13 . . . . 0.0 108.927 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -162.17 -21.32 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.04 -1.038 . . . . 0.0 109.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 -59.72 125.49 23.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.868 . . . . 0.0 109.497 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.2 mp -65.25 -80.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.0 -113.67 0.41 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.35 163.1 16.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.331 -1.099 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' SER . 41.6 ttm180 -169.04 -35.33 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 109.228 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -66.78 72.78 0.09 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 0.0 109.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ARG . 26.1 t -171.61 -60.04 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.257 -0.902 . . . . 0.0 109.422 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.95 -20.59 65.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.427 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.95 94.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.868 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.07 -47.95 66.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.325 -0.86 . . . . 0.0 109.393 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.55 -34.59 78.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 109.197 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -66.05 -52.55 48.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.487 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.22 67.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.36 -0.838 . . . . 0.0 109.682 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.99 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.377 -0.827 . . . . 0.0 109.251 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -66.79 -51.83 51.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.845 . . . . 0.0 109.365 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.67 -34.33 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.283 -0.885 . . . . 0.0 109.163 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -32.6 72.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.542 -0.724 . . . . 0.0 109.273 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.7 81.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.197 -0.939 . . . . 0.0 109.875 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.8 mp -64.97 -31.98 73.47 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.2 99.53 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -75.86 -32.04 59.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -1.067 . . . . 0.0 108.701 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.79 -45.89 92.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.415 -0.803 . . . . 0.0 108.907 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.01 -36.18 79.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.522 -0.736 . . . . 0.0 109.187 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -55.08 -41.62 71.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.426 -0.796 . . . . 0.0 109.918 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.13 -40.07 71.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.904 . . . . 0.0 109.268 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -59.63 -48.99 79.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 0.0 109.908 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.454 ' OG1' ' NH2' ' A' ' 31' ' ' ARG . 8.9 t -72.98 -24.07 60.72 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.036 -1.04 . . . . 0.0 109.892 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.2 ttp -57.47 -51.14 70.66 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.378 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -93.01 -25.1 18.11 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.009 -1.057 . . . . 0.0 109.905 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -87.07 44.91 1.21 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.049 -1.032 . . . . 0.0 109.001 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' NH2' ' OG1' ' A' ' 27' ' ' THR . 39.8 ttm180 -155.69 -38.01 0.08 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.187 -0.946 . . . . 0.0 108.768 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -66.65 80.95 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.333 -0.855 . . . . 0.0 109.439 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.585 ' H1 ' ' CD ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.2 mp -65.39 78.06 0.06 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ARG . . . 59.8 -157.35 26.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.439 -1.465 . . . . 0.0 109.439 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tt -165.72 40.77 0.06 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.231 -1.158 . . . . 0.0 108.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -71.83 106.56 4.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 109.395 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -165.89 43.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.282 -0.886 . . . . 0.0 109.169 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.3 t -171.5 -39.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.329 -0.857 . . . . 0.0 109.18 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.05 65.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.397 -0.814 . . . . 0.0 109.346 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.38 -50.9 63.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 4.6 mp0 -62.38 -45.91 91.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 108.993 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.31 -47.46 85.94 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.6 m -57.6 -52.52 65.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.155 -0.965 . . . . 0.0 109.815 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -28.62 62.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.42 -0.8 . . . . 0.0 110.482 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -38.42 80.33 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 110.857 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -90.26 -30.96 17.2 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 120.889 -1.132 . . . . 0.0 109.909 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.11 -44.3 54.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -66.62 -41.94 87.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 109.369 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.27 82.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.0 109.592 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.66 -31.95 73.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 108.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.04 -27.97 72.94 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -36.39 66.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.468 -1.019 . . . . 0.0 109.276 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.45 -46.41 69.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.71 -29.04 70.31 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -68.85 -38.87 80.07 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.614 -0.679 . . . . 0.0 109.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.35 -40.13 58.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 108.947 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.65 -47.07 87.05 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.489 -0.757 . . . . 0.0 110.044 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -71.36 -23.77 61.96 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.933 -1.104 . . . . 0.0 109.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.8 ttp -61.3 -50.89 71.18 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 111.119 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -97.06 -14.41 21.6 Favored 'General case' 0 N--CA 1.513 2.712 0 O-C-N 121.019 -1.051 . . . . 0.0 111.065 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -84.68 -35.91 22.25 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.701 -1.249 . . . . 0.0 108.931 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' NH2 . 54.5 ttt85 -63.7 -54.58 33.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.536 -0.728 . . . . 0.0 109.363 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.63 42.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.83 126.82 29.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 109.07 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.61 135.45 2.11 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 mt 56.23 13.73 1.32 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.364 -1.08 . . . . 0.0 109.644 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' SER . 36.9 mtt-85 -147.48 -80.76 0.14 Allowed 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.189 -0.944 . . . . 0.0 109.008 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 7' ' ' SER . 4.4 p 66.68 -63.07 0.27 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.782 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 6' ' ' SER . 88.8 p -69.82 -65.5 0.71 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.073 -1.017 . . . . 0.0 109.485 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.84 63.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.534 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.42 84.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.76 -48.45 63.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.86 -39.53 72.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.271 -0.893 . . . . 0.0 108.776 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -64.04 -52.56 58.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.325 -0.859 . . . . 0.0 109.554 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.15 68.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.334 -0.853 . . . . 0.0 109.754 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -34.54 78.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -71.31 -47.99 53.27 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.219 -0.925 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.82 -37.0 85.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.327 -0.858 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -61.82 -36.87 82.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 109.224 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.66 74.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.271 -0.893 . . . . 0.0 109.531 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 tp -65.15 -31.74 73.09 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -41.36 99.59 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.51 -31.57 57.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.216 -1.167 . . . . 0.0 108.941 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.76 -48.3 80.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.571 -0.706 . . . . 0.0 110.731 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.64 -28.14 60.74 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.996 -1.065 . . . . 0.0 109.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -60.34 -42.81 96.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.288 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -70.72 -34.32 71.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -0.936 . . . . 0.0 108.775 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -56.62 -45.8 81.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.767 . . . . 0.0 109.937 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -72.9 -25.76 61.18 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.996 -1.065 . . . . 0.0 109.369 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ARG . 13.1 tmm? -68.9 -47.84 64.81 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.82 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -61.93 -19.71 63.02 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.178 -0.951 . . . . 0.0 109.805 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -93.71 -48.96 6.08 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.19 -54.8 12.94 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER 58.44 103.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 109.266 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.63 147.45 53.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.369 -0.832 . . . . 0.0 109.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.43 -163.15 30.37 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.44 -24.25 67.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.299 -1.118 . . . . 0.0 108.979 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -62.97 -68.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 108.842 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -67.86 68.6 0.11 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 0.0 109.555 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ARG . 87.6 p -169.14 -44.15 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.241 -0.912 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.63 65.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.511 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.42 98.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 109.452 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -65.7 -50.42 64.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.322 -0.861 . . . . 0.0 109.399 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -50.19 73.77 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -55.46 -52.43 63.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.103 -0.998 . . . . 0.0 110.358 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.21 71.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.136 -0.978 . . . . 0.0 110.331 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.33 -31.52 65.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.67 -60.67 3.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.422 -0.798 . . . . 0.0 109.876 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.33 -25.12 68.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 109.873 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.94 -41.43 86.99 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.932 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.41 -42.62 82.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.887 . . . . 0.0 109.831 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.16 -28.57 69.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.918 . . . . 0.0 108.796 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.33 -41.9 90.77 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -76.85 -32.03 57.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.341 -1.094 . . . . 0.0 109.643 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.19 -47.43 85.98 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.364 -0.835 . . . . 0.0 110.572 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.15 -27.96 61.09 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.932 -1.105 . . . . 0.0 109.175 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -60.74 -47.3 86.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.835 . . . . 0.0 109.5 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 24.9 mt-30 -68.14 -31.42 70.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -59.42 -46.03 89.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.304 -0.872 . . . . 0.0 109.623 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -74.97 -24.4 58.44 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.044 -1.035 . . . . 0.0 109.651 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 ttp -59.47 -50.68 72.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 110.971 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 25' ' ' GLN . 59.9 p-90 -96.1 -15.09 22.38 Favored 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.957 -1.089 . . . . 0.0 111.123 -178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -87.38 -36.54 17.72 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.575 -1.328 . . . . 0.0 109.081 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.18 -56.89 9.12 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.452 -0.78 . . . . 0.0 109.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -66.96 -7.31 21.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.45 -7.4 13.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.327 -0.858 . . . . 0.0 109.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.9 75.4 1.71 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 6' ' ' SER . 11.2 mp -65.4 101.06 0.53 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -1.154 . . . . 0.0 108.266 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -69.7 46.87 0.07 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.369 -0.832 . . . . 0.0 109.6 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.5 m -165.66 -61.12 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.149 -0.969 . . . . 0.0 109.384 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 t -63.6 -31.29 72.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 109.562 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.19 68.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.0 109.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.17 99.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 109.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.09 -51.25 62.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.293 -0.88 . . . . 0.0 109.418 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.8 -39.28 93.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.3 m -62.18 -52.47 63.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.356 -0.84 . . . . 0.0 109.599 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.25 66.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.403 -0.811 . . . . 0.0 109.985 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.69 81.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -45.65 69.15 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.95 -36.28 83.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.171 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -62.93 -36.55 83.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 0.0 108.848 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.02 68.8 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.33 -0.856 . . . . 0.0 109.553 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.48 -32.08 73.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.89 . . . . 0.0 108.926 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -38.87 87.13 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.74 -32.37 59.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -1.036 . . . . 0.0 109.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.56 88.32 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 108.979 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.33 -36.12 83.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 108.99 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -57.87 -45.31 86.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.512 -0.742 . . . . 0.0 109.664 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -70.7 -35.1 72.59 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' O ' ' NE1' ' A' ' 29' ' ' TRP . 71.7 ttt180 -59.1 -51.03 71.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 0.0 109.664 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -74.41 -23.89 59.02 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.101 -1.0 . . . . 0.0 110.005 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -55.75 -50.67 69.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 110.678 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 26' ' ' ARG . 53.9 p-90 -73.08 -24.36 60.65 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.726 -1.234 . . . . 0.0 110.253 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -84.82 -34.41 22.72 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.907 -1.12 . . . . 0.0 108.726 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -67.59 -38.15 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -61.44 -44.39 97.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' C ' ' H ' ' A' ' 3' ' ' GLY . 21.4 mmt180 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.95 5.91 1.03 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 1' ' ' ARG . . . -172.39 134.34 2.97 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.49 -67.26 0.53 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.241 -1.152 . . . . 0.0 109.853 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -171.03 152.79 3.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.072 -1.017 . . . . 0.0 109.656 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ALA . 6.8 m 59.58 126.56 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.322 0.582 . . . . 0.0 111.052 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t 65.79 -58.86 0.31 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.193 0.521 . . . . 0.0 110.33 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -70.6 -21.73 62.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.957 -1.089 . . . . 0.0 109.344 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.03 -51.0 14.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.328 -0.857 . . . . 0.0 110.368 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.2 -33.65 75.95 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.856 -1.153 . . . . 0.0 109.556 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.87 -28.31 68.86 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -52.76 27.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.347 -0.845 . . . . 0.0 109.663 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -29.15 66.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 0.0 109.718 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.99 85.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.864 . . . . 0.0 109.487 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.95 -49.43 51.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.233 -0.917 . . . . 0.0 109.531 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.22 -37.24 86.46 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.366 -0.834 . . . . 0.0 109.08 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -67.4 -35.63 79.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.396 -0.815 . . . . 0.0 109.102 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.29 29.64 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.5 -32.07 73.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 108.765 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -29.2 74.39 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.78 -35.62 67.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.41 -1.053 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -70.47 -46.68 63.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.899 . . . . 0.0 109.306 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.19 -29.02 70.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -69.16 -41.32 77.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.65 -0.656 . . . . 0.0 109.269 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.26 -38.3 66.0 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.194 -0.941 . . . . 0.0 109.198 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -63.97 -47.38 80.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.0 110.004 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -71.6 -26.04 62.42 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.854 -1.154 . . . . 0.0 109.5 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.42 ' SD ' ' NH2' ' A' ' 32' ' ' ARG . 13.8 tmm? -59.14 -39.85 83.67 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.65 -3.34 33.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.078 -1.014 . . . . 0.0 109.721 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -127.72 44.81 2.86 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.422 -0.799 . . . . 0.0 109.691 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.63 -8.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.303 -0.873 . . . . 0.0 108.968 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' SD ' ' A' ' 28' ' ' MET . 41.4 ttm180 -64.34 146.59 54.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.389 -0.819 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.4 OUTLIER -63.76 162.11 13.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.162 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.98 125.09 29.65 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp -169.71 -21.26 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.361 -1.082 . . . . 0.0 108.65 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -168.9 152.53 5.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.289 -0.882 . . . . 0.0 109.12 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t 53.05 40.9 31.97 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.328 -0.858 . . . . 0.0 110.089 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 t -171.53 -51.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 0.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -21.11 66.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.39 98.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.376 -0.828 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.21 -40.2 95.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.884 . . . . 0.0 109.45 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -70.08 -40.85 74.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.921 . . . . 0.0 108.561 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 m -57.79 -52.45 65.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 109.968 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 -46.71 70.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.958 -1.089 . . . . 0.0 110.293 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.08 70.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.282 -0.886 . . . . 0.0 109.202 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.46 -59.74 3.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 109.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.75 -39.49 93.7 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.315 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -62.77 -34.02 76.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.24 77.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.301 -0.874 . . . . 0.0 109.419 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.34 -31.9 73.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 108.6 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.67 98.33 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 71.6 m-20 -74.51 -32.21 62.43 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.485 -1.009 . . . . 0.0 108.49 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.01 -45.48 83.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.0 109.107 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.87 -33.73 74.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.785 -0.572 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -55.18 -51.92 64.98 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 109.806 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' ASP . 2.0 mp0 -59.5 -45.09 92.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.934 . . . . 0.0 108.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.87 -51.39 66.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.078 -1.014 . . . . 0.0 110.909 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -75.16 -24.0 57.85 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.768 -1.208 . . . . 0.0 110.431 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.2 ttp -57.42 -50.6 72.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.145 -0.972 . . . . 0.0 111.058 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -86.98 -17.98 31.78 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.589 -1.32 . . . . 0.0 111.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -83.7 -31.75 25.91 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.626 -1.297 . . . . 0.0 108.855 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.19 -42.66 96.57 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.525 -0.734 . . . . 0.0 109.398 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -67.35 88.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.855 . . . . 0.0 109.407 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.851 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_