data_1opp_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 1opp _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 22' ' ' ALA . . . . . 0.822 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.238 0.463 0 CA-C-O 122.388 1.089 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -140.98 -41.04 0.39 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.552 0.692 . . . . 0.0 109.998 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -91.2 -30.9 16.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.379 1.085 . . . . 0.0 110.103 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.696 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.822 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -67.04 -26.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.631 0.729 . . . . 0.0 111.505 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.634 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.1 t -75.37 -30.14 60.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.884 0.85 . . . . 0.0 111.025 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -72.02 -21.45 61.54 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.727 -0.608 . . . . 0.0 111.91 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -33.88 7.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.945 0.879 . . . . 0.0 110.87 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.82 -32.48 73.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.732 0.777 . . . . 0.0 111.099 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 35.95 1.02 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.515 0.674 . . . . 0.0 111.84 -174.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 C--N 1.32 -0.684 0 CA-C-O 121.65 0.738 . . . . 0.0 111.259 -172.833 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.246 0.916 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -43.79 67.01 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.331 -0.856 . . . . 0.0 111.347 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.64 -38.97 53.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.03 0.919 . . . . 0.0 110.9 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.541 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.58 -26.93 68.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.289 0.566 . . . . 0.0 111.555 172.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.455 ' HA ' HD11 ' A' ' 29' ' ' ILE . 1.8 mt -65.73 -27.22 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.677 0.751 . . . . 0.0 111.172 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.611 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -65.16 -33.32 75.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.925 0.869 . . . . 0.0 110.899 172.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -73.18 -28.28 62.12 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.239 0.542 . . . . 0.0 111.895 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 25' ' ' LEU . 1.1 mp -72.25 -35.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.923 0.868 . . . . 0.0 110.759 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -61.59 -29.54 70.1 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.365 0.602 . . . . 0.0 111.802 -176.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.44 30.03 1.19 Allowed 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.554 -0.716 . . . . 0.0 112.922 -171.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.478 0.656 . . . . 0.0 111.977 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -46.02 69.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.663 0.744 . . . . 0.0 111.315 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.56 -41.8 65.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.865 0.84 . . . . 0.0 111.03 -172.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -24.98 66.25 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.153 0.501 . . . . 0.0 111.92 175.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 1.2 mt -70.85 -29.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -32.41 72.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.091 0.948 . . . . 0.0 110.968 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.86 -30.48 65.47 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 111.895 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -29.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.785 0.802 . . . . 0.0 111.087 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 2.9 mptp? -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.752 0.787 . . . . 0.0 111.006 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 42.24 1.09 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.57 0.7 . . . . 0.0 111.7 -175.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 121.632 0.73 . . . . 0.0 111.442 172.693 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.619 0 CA-C-O 121.421 0.629 . . . . 0.0 111.636 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.37 89.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.696 0.76 . . . . 0.0 111.268 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.47 -40.92 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.702 0.763 . . . . 0.0 111.275 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.43 -21.96 66.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.344 0.592 . . . . 0.0 111.736 176.373 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.545 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -68.09 -33.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.5 0.667 . . . . 0.0 111.46 173.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -33.94 77.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.175 0.988 . . . . 0.0 110.675 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -29.13 65.92 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.805 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.775 HD11 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.35 -33.99 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.71 -172.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.832 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.27 -47.0 82.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.831 0.824 . . . . 0.0 110.997 174.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.832 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.7 tt0 -93.74 45.64 1.16 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.592 0.71 . . . . 0.0 111.516 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.704 0 CA-C-O 122.003 0.906 . . . . 0.0 111.055 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.242 0.697 0 CA-C-O 121.189 0.518 . . . . 0.0 111.941 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -70.99 -40.58 71.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.0 111.171 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.31 -38.95 49.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.1 0.952 . . . . 0.0 110.976 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -26.5 68.22 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.528 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 22' ' ' ALA . 3.2 mt -66.09 -26.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 121.592 -0.693 . . . . 0.0 111.386 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -67.28 -33.81 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.468 1.127 . . . . 0.0 110.036 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -65.12 -31.91 73.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.448 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -43.28 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.004 0.907 . . . . 0.0 110.757 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.47 94.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.803 0.811 . . . . 0.0 111.073 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.79 47.85 1.25 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.558 -175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 121.741 0.782 . . . . 0.0 111.106 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.55 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.748 0.785 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -47.62 85.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.732 0.777 . . . . 0.0 111.254 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -78.12 -40.1 39.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.862 0.839 . . . . 0.0 111.23 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -23.15 67.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.294 0.568 . . . . 0.0 111.807 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -66.46 -29.47 46.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.756 0.788 . . . . 0.0 111.211 175.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -43.26 77.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.92 0.867 . . . . 0.0 110.949 172.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -60.37 -28.92 68.59 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.372 0.606 . . . . 0.0 112.027 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -36.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.848 0.832 . . . . 0.0 111.091 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD3' ' HB2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.54 -32.62 74.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.403 -179.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.536 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -92.81 43.4 1.12 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.599 0.714 . . . . 0.0 111.931 -172.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.32 -0.696 0 CA-C-O 121.503 0.668 . . . . 0.0 111.628 172.362 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.242 0.7 0 CA-C-O 121.279 0.561 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -58.03 4.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.661 0.743 . . . . 0.0 111.306 -172.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.71 -39.45 93.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.349 1.071 . . . . 0.0 110.915 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -74.08 -22.13 59.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.546 0.689 . . . . 0.0 111.337 -174.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.48 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.26 -32.94 56.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.762 0.791 . . . . 0.0 111.039 172.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.47 80.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.102 0.953 . . . . 0.0 110.639 172.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -65.72 -22.82 66.64 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.377 172.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.09 7.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.066 0.936 . . . . 0.0 110.688 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.08 -39.49 63.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.989 0.9 . . . . 0.0 110.822 172.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.51 46.79 1.26 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.638 0.732 . . . . 0.0 111.529 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 111.022 173.547 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.101 0.477 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.433 ' HA ' HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.31 -23.29 35.23 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.694 -0.628 . . . . 0.0 111.957 -176.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' HD2' ' A' ' 23' ' ' ARG . 15.5 mt-10 -85.38 -40.47 16.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.93 0.871 . . . . 0.0 111.006 172.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.435 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.86 -22.69 66.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.325 0.584 . . . . 0.0 111.882 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -65.31 -26.89 40.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.599 0.714 . . . . 0.0 111.397 178.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.798 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -71.22 -40.32 71.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.907 0.86 . . . . 0.0 110.836 172.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.409 ' NE ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.17 -27.1 68.16 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 111.778 172.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.409 HD12 ' NE ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -82.75 -34.54 11.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.833 0.825 . . . . 0.0 110.925 -173.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.92 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.45 -30.82 71.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.619 0.723 . . . . 0.0 111.286 -177.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.92 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 1.9 tt0 -92.53 47.64 1.32 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.363 0.602 . . . . 0.0 111.658 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.684 0.754 . . . . 0.0 111.376 -178.538 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.582 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.245 0.845 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -41.42 98.12 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 111.138 172.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -82.77 -42.25 18.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.05 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.67 66.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.348 0.594 . . . . 0.0 111.79 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -64.45 -30.09 49.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.776 0.798 . . . . 0.0 111.085 179.036 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.61 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.69 -35.26 79.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.916 173.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -73.63 -27.89 61.51 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.291 0.567 . . . . 0.0 112.046 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.69 -31.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.652 0.739 . . . . 0.0 111.266 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -60.18 -36.51 77.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.926 0.869 . . . . 0.0 111.027 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.51 42.35 1.1 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.317 0.579 . . . . 0.0 112.036 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 111.703 172.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 121.881 0.848 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -88.37 132.13 34.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.156 170.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' ARG . 5.6 mt-10 89.37 -30.36 0.03 OUTLIER 'General case' 0 C--O 1.245 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 111.102 -172.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.807 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -87.92 -21.74 24.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.491 0.662 . . . . 0.0 110.883 170.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -65.04 -28.67 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.613 0.721 . . . . 0.0 111.323 174.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.81 78.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.0 0.905 . . . . 0.0 111.124 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.71 -30.3 71.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.444 0.64 . . . . 0.0 111.961 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -33.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.799 0.809 . . . . 0.0 111.077 -172.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -32.91 69.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.651 0.738 . . . . 0.0 111.25 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.11 40.76 1.07 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.394 0.616 . . . . 0.0 111.668 -174.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 121.774 0.797 . . . . 0.0 111.189 -178.138 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.61 0 CA-C-O 121.524 0.678 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HD2' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.31 -26.3 46.88 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.699 -0.626 . . . . 0.0 111.68 -172.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' HG3' ' HD2' ' A' ' 23' ' ' ARG . 15.3 mt-10 -79.88 -43.69 21.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.117 0.961 . . . . 0.0 110.565 171.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -22.19 66.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.322 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mt -69.49 -28.14 36.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.557 0.694 . . . . 0.0 111.625 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.661 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 t -75.72 -30.29 59.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.943 0.878 . . . . 0.0 110.801 172.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -68.99 -24.96 64.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.358 0.599 . . . . 0.0 111.56 171.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -35.08 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.037 0.922 . . . . 0.0 110.816 -176.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.82 -38.46 79.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.897 0.856 . . . . 0.0 110.959 179.331 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.507 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -90.92 45.99 1.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.638 0.732 . . . . 0.0 111.461 176.105 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.807 0.813 . . . . 0.0 111.04 -174.886 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.541 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.243 0.741 0 CA-C-O 121.184 0.516 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -49.74 65.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.945 0.879 . . . . 0.0 111.221 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.84 -39.34 35.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.023 0.916 . . . . 0.0 110.917 -175.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.684 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.285 0.564 . . . . 0.0 111.555 172.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.439 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.3 mt -68.2 -31.11 50.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.789 0.804 . . . . 0.0 111.181 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.448 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -60.35 -35.66 76.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.906 0.86 . . . . 0.0 110.919 172.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -73.56 -30.15 62.87 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.396 0.617 . . . . 0.0 111.938 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.684 HD11 ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -68.65 -32.66 55.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.068 0.937 . . . . 0.0 110.651 -172.729 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -49.94 -40.7 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.856 0.836 . . . . 0.0 111.084 172.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.572 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -91.84 44.67 1.18 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.503 0.668 . . . . 0.0 111.567 179.681 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 121.882 0.849 . . . . 0.0 111.191 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.628 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 121.384 0.611 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.98 -75.33 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.997 0.903 . . . . 0.0 111.907 172.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 27' ' ' SER . 70.6 tt0 -52.17 -49.22 64.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.954 0.883 . . . . 0.0 112.26 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -26.74 67.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.75 -0.594 . . . . 0.0 111.494 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -68.37 -35.7 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.036 0.922 . . . . 0.0 111.224 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 13.3 t -60.07 -29.61 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.615 0.721 . . . . 0.0 111.213 172.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -80.75 -29.03 36.29 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.422 0.63 . . . . 0.0 111.973 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.99 49.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.929 0.871 . . . . 0.0 110.776 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.02 74.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.815 0.817 . . . . 0.0 111.019 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.67 51.12 1.81 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.738 0.78 . . . . 0.0 111.402 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 110.959 172.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.623 0 CA-C-O 121.574 0.702 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -59.23 2.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.924 0.869 . . . . 0.0 111.089 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.07 -47.92 79.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.773 0.796 . . . . 0.0 111.963 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -30.27 61.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.378 0.609 . . . . 0.0 111.444 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.565 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.14 -33.39 58.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.058 0.932 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 t -61.74 -29.24 69.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.591 0.71 . . . . 0.0 111.332 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -81.38 -28.3 34.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.397 0.618 . . . . 0.0 111.94 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -33.26 23.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.882 0.849 . . . . 0.0 111.109 -172.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD3' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -76.13 -35.23 59.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.88 0.848 . . . . 0.0 111.333 -172.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 30.85 1.42 Allowed 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.878 -0.514 . . . . 0.0 112.356 -172.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.245 0.844 0 O-C-N 121.77 -0.581 . . . . 0.0 112.224 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.243 0.712 0 CA-C-O 121.294 0.568 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -43.71 93.32 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.467 -0.771 . . . . 0.0 111.241 172.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.0 -41.59 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.909 0.862 . . . . 0.0 111.146 -172.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD23 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -64.66 -23.88 67.4 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.272 0.558 . . . . 0.0 111.693 174.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.661 ' HA ' HD11 ' A' ' 29' ' ' ILE . 4.9 mt -66.79 -26.84 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.265 177.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.547 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -64.77 -37.78 88.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.928 0.87 . . . . 0.0 110.916 172.633 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.56 -30.06 68.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.352 0.596 . . . . 0.0 111.709 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.709 HD13 HD23 ' A' ' 25' ' ' LEU . 1.6 mt -68.74 -39.81 80.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.926 0.869 . . . . 0.0 110.738 -173.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -57.06 -31.82 65.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.498 0.666 . . . . 0.0 111.444 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.31 28.17 1.5 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 111.842 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.245 0.85 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -67.91 -47.38 68.95 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.319 -0.863 . . . . 0.0 111.173 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.04 -41.83 70.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 110.955 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.556 HD23 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -72.16 -22.34 61.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.339 0.59 . . . . 0.0 111.688 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.642 ' HA ' HD11 ' A' ' 29' ' ' ILE . 2.4 mt -60.06 -26.1 35.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.534 0.683 . . . . 0.0 111.448 172.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.85 91.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.987 0.898 . . . . 0.0 110.697 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -65.14 -29.31 70.14 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.388 0.613 . . . . 0.0 111.679 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 26' ' ' ILE . 1.2 mt -70.5 -37.82 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.258 1.028 . . . . 0.0 110.621 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.87 63.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.946 0.879 . . . . 0.0 111.046 172.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.02 35.05 1.3 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.546 0.688 . . . . 0.0 111.783 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 121.757 0.789 . . . . 0.0 110.939 175.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.67 0 CA-C-O 121.421 0.629 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -47.6 60.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.698 0.761 . . . . 0.0 111.242 -172.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.62 -37.26 42.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.999 0.904 . . . . 0.0 110.822 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -27.6 64.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.426 0.631 . . . . 0.0 111.389 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.529 HG22 ' HE2' ' A' ' 30' ' ' LYS . 1.2 mt -66.9 -31.82 55.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.786 0.803 . . . . 0.0 111.106 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -32.34 73.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.08 0.943 . . . . 0.0 110.844 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -71.1 -27.5 63.64 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.163 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -29.78 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.952 0.882 . . . . 0.0 111.031 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HE2' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.29 -36.94 64.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 111.001 172.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -93.02 45.81 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.524 0.678 . . . . 0.0 111.617 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 121.828 0.823 . . . . 0.0 111.124 173.414 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.485 0.66 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -43.72 90.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.67 0.748 . . . . 0.0 111.039 172.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.32 -41.33 40.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.879 0.847 . . . . 0.0 111.031 -172.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.847 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.64 -23.62 67.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.266 0.555 . . . . 0.0 111.837 174.191 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.88 -30.96 43.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.597 0.713 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -32.87 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.302 1.049 . . . . 0.0 110.521 172.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -70.8 -29.82 66.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.663 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.78 -33.44 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.063 0.935 . . . . 0.0 110.603 -173.492 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -56.14 -34.15 65.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.731 0.777 . . . . 0.0 111.072 173.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 45.14 1.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.577 0.703 . . . . 0.0 111.548 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 122.128 0.966 . . . . 0.0 110.7 172.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.679 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.243 0.744 0 CA-C-O 121.234 0.54 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.15 86.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.576 -0.703 . . . . 0.0 111.451 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -80.82 -39.62 26.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.998 0.904 . . . . 0.0 110.933 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.45 -21.32 62.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.29 0.567 . . . . 0.0 112.111 172.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.2 mt -70.32 -35.19 61.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.635 0.731 . . . . 0.0 111.4 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -31.44 72.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.144 0.973 . . . . 0.0 110.752 172.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.02 -30.51 66.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.391 0.615 . . . . 0.0 111.81 172.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -33.72 41.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.981 0.896 . . . . 0.0 110.886 -172.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -40.81 80.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.81 0.814 . . . . 0.0 111.168 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.34 38.18 1.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.542 0.687 . . . . 0.0 111.693 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 122.765 1.269 . . . . 0.0 110.184 179.502 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.88 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.244 0.811 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -32.66 6.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.001 0.905 . . . . 0.0 110.724 171.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -91.49 -38.9 12.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.608 0.718 . . . . 0.0 111.184 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -28.28 68.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.334 0.588 . . . . 0.0 111.488 176.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.88 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -68.44 -29.56 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.624 0.726 . . . . 0.0 111.436 179.26 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -66.81 -33.41 75.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.083 0.944 . . . . 0.0 110.882 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -28.04 63.43 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.29 0.567 . . . . 0.0 111.994 172.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -32.32 22.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.865 0.841 . . . . 0.0 111.029 -173.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -63.45 -37.59 87.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.818 0.818 . . . . 0.0 110.989 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.54 48.75 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 111.46 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.682 0 CA-C-O 122.197 0.999 . . . . 0.0 110.896 172.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 122.007 0.908 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -28.47 66.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.294 0.569 . . . . 0.0 111.457 175.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -83.73 -46.09 12.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.702 0.763 . . . . 0.0 111.883 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.23 -21.14 61.46 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.858 -0.526 . . . . 0.0 112.166 172.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.598 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -70.2 -34.79 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.74 0.781 . . . . 0.0 111.148 172.409 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -63.92 -29.38 70.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.155 0.978 . . . . 0.0 110.701 171.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -27.88 56.62 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.355 0.598 . . . . 0.0 111.917 172.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -67.45 -33.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 122.591 1.186 . . . . 0.0 110.016 -176.595 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -65.94 -30.94 71.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.164 0.983 . . . . 0.0 110.744 172.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 51.65 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.462 0.649 . . . . 0.0 111.603 172.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.459 0.647 . . . . 0.0 111.572 178.2 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.243 0.728 0 CA-C-O 121.195 0.521 . . . . 0.0 111.88 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -51.01 61.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.649 -0.657 . . . . 0.0 111.343 -175.339 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.94 -40.56 60.74 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.995 0.902 . . . . 0.0 110.88 -176.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.53 -26.54 63.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 0.0 111.8 172.679 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.89 -28.83 38.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 0.0 111.104 -175.371 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -31.51 71.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 111.009 172.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -28.64 61.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.365 0.602 . . . . 0.0 112.045 174.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -37.16 24.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.925 0.869 . . . . 0.0 111.024 -172.448 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -57.96 -37.78 74.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.24 1.019 . . . . 0.0 110.85 -176.372 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.14 39.71 1.05 Allowed 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.2 -172.262 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.243 0.754 0 CA-C-O 121.386 0.612 . . . . 0.0 111.933 178.068 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.807 0.813 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -61.62 -38.01 86.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.706 0.765 . . . . 0.0 111.096 178.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.36 -41.32 40.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.886 0.851 . . . . 0.0 110.976 -173.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD11 HH21 ' A' ' 28' ' ' ARG . 0.1 OUTLIER -66.1 -24.1 66.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.118 174.886 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.4 mt -67.37 -26.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.639 0.733 . . . . 0.0 111.048 -177.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -43.0 73.44 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.348 1.07 . . . . 0.0 110.272 171.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.563 HH21 HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.48 -31.87 56.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.546 0.689 . . . . 0.0 111.881 171.774 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -33.99 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.897 0.856 . . . . 0.0 110.829 -172.091 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.677 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.34 -40.79 78.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.997 0.903 . . . . 0.0 110.991 179.329 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.677 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.1 tt0 -92.96 36.74 1.03 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.21 0.528 . . . . 0.0 111.911 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.245 0.828 0 O-C-N 121.746 -0.596 . . . . 0.0 112.143 -172.606 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.628 0 CA-C-O 121.376 0.608 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.39 90.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.637 0.732 . . . . 0.0 111.236 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.48 -40.6 70.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.033 0.921 . . . . 0.0 111.022 -174.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -27.79 68.96 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.259 0.552 . . . . 0.0 111.81 173.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.9 -27.14 29.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.683 0.754 . . . . 0.0 111.28 -173.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.766 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.4 t -71.46 -34.53 70.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 110.989 172.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HD3' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.29 -26.02 65.44 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.265 0.555 . . . . 0.0 111.844 172.402 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.553 HD12 ' HD3' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -83.4 -32.06 8.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.61 0.719 . . . . 0.0 111.209 -174.281 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.766 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -62.49 -36.05 81.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.948 0.88 . . . . 0.0 110.962 -178.214 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.654 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -93.97 33.98 1.28 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.855 -0.528 . . . . 0.0 112.38 -172.172 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.243 0.754 0 O-C-N 121.742 -0.599 . . . . 0.0 112.371 -175.791 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.608 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 122.153 0.978 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -49.73 -62.54 1.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.904 0.859 . . . . 0.0 111.732 172.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -68.46 -42.99 77.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.721 0.772 . . . . 0.0 111.369 -172.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -25.08 62.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.229 0.538 . . . . 0.0 111.858 176.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.55 -31.49 32.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.662 0.744 . . . . 0.0 111.5 -177.115 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.802 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -69.29 -38.54 78.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.921 174.303 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -64.54 -31.32 72.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.394 0.616 . . . . 0.0 111.742 172.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -32.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.789 0.804 . . . . 0.0 111.145 -172.347 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.802 ' HD3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -58.84 -34.75 71.91 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.762 0.792 . . . . 0.0 111.143 177.299 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.593 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -93.77 43.66 1.11 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.36 0.6 . . . . 0.0 111.684 -173.262 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.718 0.77 . . . . 0.0 111.349 177.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.863 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.246 0.907 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -36.05 62.35 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.379 -0.826 . . . . 0.0 111.443 -178.391 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.2 -40.58 16.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.998 0.904 . . . . 0.0 110.987 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.863 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.05 -24.34 67.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 172.877 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -63.43 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.633 0.73 . . . . 0.0 111.473 -179.817 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -32.76 74.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.086 0.946 . . . . 0.0 110.904 174.21 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -75.46 -23.94 56.93 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.431 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -33.28 11.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.341 -0.849 . . . . 0.0 111.268 -172.155 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HZ1' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -62.93 -33.92 76.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.673 0.749 . . . . 0.0 111.198 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -93.24 32.99 1.24 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.309 0.576 . . . . 0.0 112.203 -172.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--O 1.242 0.68 0 CA-C-O 121.579 0.704 . . . . 0.0 111.788 172.523 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.245 0.841 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -49.71 56.86 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.413 -0.805 . . . . 0.0 111.412 179.157 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -70.13 -40.59 74.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.983 0.897 . . . . 0.0 110.82 -177.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.695 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.47 -24.14 67.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.218 0.533 . . . . 0.0 111.812 172.71 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.601 ' HA ' HD11 ' A' ' 29' ' ' ILE . 1.8 mt -73.81 -34.51 40.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.57 0.7 . . . . 0.0 111.256 177.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.554 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 29.6 t -66.68 -26.81 67.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.778 0.799 . . . . 0.0 110.623 172.246 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -76.7 -29.02 56.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.439 0.637 . . . . 0.0 111.491 171.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 25' ' ' LEU . 1.3 mt -70.53 -36.88 67.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.003 0.906 . . . . 0.0 110.724 -173.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.606 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -61.77 -39.2 90.82 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 110.966 -178.175 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.606 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.4 tt0 -91.78 44.84 1.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.603 179.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 121.927 0.87 . . . . 0.0 111.074 179.675 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.758 ' O ' HD11 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.653 0 CA-C-O 121.516 0.674 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 -16.18 10.92 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 0.0 112.141 174.052 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -96.16 -33.88 11.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.939 0.876 . . . . 0.0 110.035 170.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.5 -32.32 73.9 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.379 1.561 . . . . 0.0 107.697 169.242 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.758 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -83.27 162.12 3.24 Favored 'Isoleucine or valine' 0 C--O 1.252 1.191 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 164.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.679 ' HB3' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 80.7 -45.36 0.25 Allowed 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.64 -1.288 . . . . 0.0 110.058 -165.63 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG3' HH11 ' A' ' 28' ' ' ARG . 0.0 OUTLIER -80.78 -32.35 35.47 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.266 -0.896 . . . . 0.0 111.093 170.677 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.59 -43.09 77.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.761 0.791 . . . . 0.0 110.496 176.375 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -34.38 13.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.106 0.955 . . . . 0.0 111.131 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.3 45.11 1.19 Allowed 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.812 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.736 0 CA-C-O 121.567 0.699 . . . . 0.0 111.751 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 121.478 0.656 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.77 -162.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 126.278 4.652 . . . . 0.0 114.656 175.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.689 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 24.8 t0 -64.64 91.38 0.08 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.75 0.785 . . . . 0.0 110.909 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.01 84.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.158 0.98 . . . . 0.0 110.839 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t 169.17 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.26 1.029 . . . . 0.0 110.664 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -150.23 44.1 0.87 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.913 0.863 . . . . 0.0 110.793 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 3' ' ' ASP . . . -97.09 -26.17 15.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.124 0.964 . . . . 0.0 111.26 -176.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -28.65 67.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.239 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.33 -44.97 44.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.538 0.685 . . . . 0.0 111.613 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.1 -36.38 81.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.85 0.833 . . . . 0.0 111.023 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -70.49 -17.42 62.96 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.333 0.587 . . . . 0.0 112.217 -174.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -86.98 59.97 5.95 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.809 0.814 . . . . 0.0 110.727 171.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.6 tp10 170.13 -80.67 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 O-C-N 120.979 -1.075 . . . . 0.0 110.239 -171.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -42.98 -17.0 0.01 OUTLIER 'General case' 0 C--O 1.26 1.642 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 168.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.67 -42.9 6.28 Favored Glycine 0 N--CA 1.465 0.581 0 CA-C-N 120.598 1.544 . . . . 0.0 111.957 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -38.8 39.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.205 1.002 . . . . 0.0 111.241 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 51.9 m -70.96 -25.55 62.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.296 -172.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -81.42 -32.58 32.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.103 0.478 . . . . 0.0 112.253 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 5.1 tp10 -71.15 -7.46 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.625 -0.672 . . . . 0.0 112.624 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -19.97 12.61 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.363 -0.836 . . . . 0.0 110.895 171.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.633 ' O ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -89.32 3.14 53.1 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 121.306 -0.871 . . . . 0.0 112.539 172.505 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.822 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -140.57 30.56 1.9 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.388 1.089 . . . . 0.0 110.364 170.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.561 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -140.98 -41.04 0.39 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.552 0.692 . . . . 0.0 109.998 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -91.2 -30.9 16.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.379 1.085 . . . . 0.0 110.103 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.633 HD21 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.696 176.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.822 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -67.04 -26.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.631 0.729 . . . . 0.0 111.505 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.634 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.1 t -75.37 -30.14 60.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.884 0.85 . . . . 0.0 111.025 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -72.02 -21.45 61.54 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.727 -0.608 . . . . 0.0 111.91 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -33.88 7.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.945 0.879 . . . . 0.0 110.87 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.82 -32.48 73.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.732 0.777 . . . . 0.0 111.099 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 35.95 1.02 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.515 0.674 . . . . 0.0 111.84 -174.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -170.28 41.66 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.65 0.738 . . . . 0.0 111.259 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 29.16 5.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 111.951 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.069 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -107.16 -37.16 6.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.847 0.832 . . . . 0.0 111.411 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.13 28.09 17.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.588 0.709 . . . . 0.0 110.815 -170.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.069 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -104.65 -35.61 7.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.745 0.783 . . . . 0.0 110.992 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.12 42.87 0.34 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.862 0.839 . . . . 0.0 110.999 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.186 0 CA-C-O 122.054 0.93 . . . . 0.0 110.989 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.595 ' CG2' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 121.915 0.864 . . . . 0.0 111.066 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.33 -173.08 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.515 1 C-N-CA 126.455 4.77 . . . . 0.0 114.858 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.69 98.75 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.995 0.902 . . . . 0.0 110.924 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.595 HG21 ' CG2' ' A' ' 1' ' ' THR . 1.0 OUTLIER -98.48 -17.56 6.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -63.94 -36.26 83.39 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.338 -0.851 . . . . 0.0 111.122 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -120.98 36.17 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.691 0.758 . . . . 0.0 111.159 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.47 -20.12 40.89 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 8' ' ' LEU . 10.3 tp -73.92 -31.17 62.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.669 0.747 . . . . 0.0 111.114 173.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -49.63 -41.45 42.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.714 0.768 . . . . 0.0 111.29 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -54.66 -38.13 66.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.804 0.811 . . . . 0.0 111.157 -172.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 HD21 ' HD2' ' A' ' 14' ' ' PHE . 22.2 mt -85.62 -75.96 0.35 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.722 0.773 . . . . 0.0 110.962 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.1 OUTLIER 23.63 56.96 0.03 OUTLIER 'General case' 0 C--O 1.247 0.929 0 C-N-CA 124.815 1.246 . . . . 0.0 113.636 -171.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 4.3 tt0 163.75 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.913 -1.117 . . . . 0.0 109.957 -171.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' HD2' HD21 ' A' ' 11' ' ' LEU . 60.0 t80 -50.08 -10.65 0.05 Allowed 'General case' 0 C--O 1.261 1.662 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 169.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.32 -39.92 4.65 Favored Glycine 0 C--N 1.315 -0.585 0 CA-C-N 120.947 1.703 . . . . 0.0 110.901 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -48.55 -34.14 10.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.74 0.781 . . . . 0.0 111.169 172.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -52.3 -46.54 65.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.692 0.758 . . . . 0.0 111.216 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.742 ' N ' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -59.81 -39.32 84.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 111.011 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.84 31.58 2.06 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.485 0.659 . . . . 0.0 111.847 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -130.08 -49.82 1.11 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.949 0.881 . . . . 0.0 111.117 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -18.4 34.83 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.267 0.556 . . . . 0.0 111.853 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -74.58 -11.57 60.24 Favored 'General case' 0 C--O 1.246 0.916 0 O-C-N 121.496 -0.753 . . . . 0.0 112.694 172.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -43.79 67.01 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.331 -0.856 . . . . 0.0 111.347 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.64 -38.97 53.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.03 0.919 . . . . 0.0 110.9 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.541 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.58 -26.93 68.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.289 0.566 . . . . 0.0 111.555 172.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.455 ' HA ' HD11 ' A' ' 29' ' ' ILE . 1.8 mt -65.73 -27.22 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.677 0.751 . . . . 0.0 111.172 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.611 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -65.16 -33.32 75.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.925 0.869 . . . . 0.0 110.899 172.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -73.18 -28.28 62.12 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.239 0.542 . . . . 0.0 111.895 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 25' ' ' LEU . 1.1 mp -72.25 -35.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.923 0.868 . . . . 0.0 110.759 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -61.59 -29.54 70.1 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.365 0.602 . . . . 0.0 111.802 -176.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.44 30.03 1.19 Allowed 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.554 -0.716 . . . . 0.0 112.922 -171.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.39 37.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.478 0.656 . . . . 0.0 111.977 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.3 30.1 3.6 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.722 -0.611 . . . . 0.0 112.149 173.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.69 ' O ' ' HB2' ' A' ' 35' ' ' SER . 0.2 OUTLIER -116.46 -50.28 2.64 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.694 0.759 . . . . 0.0 111.154 175.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.69 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 16.8 m 81.42 6.67 1.2 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 123.908 0.883 . . . . 0.0 112.95 -172.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 35' ' ' SER . . . 153.48 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.12 1.438 . . . . 0.0 109.22 -172.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -165.31 25.63 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.789 170.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.137 0 CA-C-O 122.074 0.94 . . . . 0.0 111.285 -172.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.802 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 122.424 1.106 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.802 ' HD2' HG23 ' A' ' 1' ' ' THR . 0.1 OUTLIER -88.02 -115.85 0.01 OUTLIER 'Trans proline' 0 N--CA 1.535 3.96 1 C-N-CA 127.245 5.296 . . . . 0.0 112.779 176.361 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.22 87.52 0.6 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.945 0.879 . . . . 0.0 110.717 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.69 -26.26 40.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.107 -172.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -61.94 -49.2 77.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.834 0.826 . . . . 0.0 110.96 -172.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -110.38 33.24 4.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.458 0.646 . . . . 0.0 111.349 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.78 -21.18 17.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.403 0.62 . . . . 0.0 112.544 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -29.91 54.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.936 0.874 . . . . 0.0 110.906 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.79 -39.95 27.18 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.718 0.771 . . . . 0.0 111.19 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -55.17 -41.43 71.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.845 0.831 . . . . 0.0 111.028 -172.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 14' ' ' PHE . 32.4 mt -78.67 -74.3 0.28 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 110.971 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.68 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 2.4 tptt 27.28 58.59 0.09 Allowed 'General case' 0 C--O 1.25 1.088 0 C-N-CA 124.506 1.122 . . . . 0.0 113.549 -171.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.68 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.4 tt0 160.09 -77.73 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 O-C-N 120.552 -1.342 . . . . 0.0 109.697 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' H ' ' HB3' ' A' ' 13' ' ' GLU . 2.3 t80 -47.27 -19.25 0.13 Allowed 'General case' 0 C--O 1.261 1.691 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 169.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.02 -38.62 3.77 Favored Glycine 0 N--CA 1.464 0.556 0 CA-C-N 120.853 1.66 . . . . 0.0 110.916 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -49.15 -37.2 21.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.872 0.844 . . . . 0.0 111.004 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.8 m -58.67 -43.71 89.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.942 0.877 . . . . 0.0 110.966 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.637 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.4 mt -60.26 -35.32 75.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.762 0.792 . . . . 0.0 111.024 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.09 31.63 2.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.609 0.719 . . . . 0.0 111.906 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -132.56 -48.14 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.906 0.86 . . . . 0.0 111.016 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -20.54 25.41 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.351 0.596 . . . . 0.0 111.766 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -71.46 -25.36 62.26 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.526 -0.734 . . . . 0.0 111.527 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -46.02 69.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.663 0.744 . . . . 0.0 111.315 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.56 -41.8 65.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.865 0.84 . . . . 0.0 111.03 -172.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -24.98 66.25 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.153 0.501 . . . . 0.0 111.92 175.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 1.2 mt -70.85 -29.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -32.41 72.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.091 0.948 . . . . 0.0 110.968 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.86 -30.48 65.47 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 111.895 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -29.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.785 0.802 . . . . 0.0 111.087 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 2.9 mptp? -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.752 0.787 . . . . 0.0 111.006 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 42.24 1.09 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.57 0.7 . . . . 0.0 111.7 -175.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 p -167.24 33.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.632 0.73 . . . . 0.0 111.442 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.02 31.07 4.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.437 0.636 . . . . 0.0 111.87 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -102.33 -48.97 4.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.816 0.817 . . . . 0.0 110.942 173.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.5 OUTLIER 66.86 20.66 10.54 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.231 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 90.11 -31.98 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.683 1.193 . . . . 0.0 111.679 172.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -123.06 -42.84 2.25 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.424 -0.798 . . . . 0.0 111.327 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.182 0 CA-C-O 122.042 0.925 . . . . 0.0 110.98 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.738 0 CA-C-O 122.106 0.955 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -56.65 -158.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.51 1 C-N-CA 126.375 4.716 . . . . 0.0 114.566 175.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -61.4 -11.84 11.94 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.609 ' O ' HG22 ' A' ' 1' ' ' THR . 6.7 p -89.43 52.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 121.378 -0.826 . . . . 0.0 111.619 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.676 ' HB3' HG23 ' A' ' 1' ' ' THR . 70.9 p -100.21 -43.63 6.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.931 0.872 . . . . 0.0 110.878 172.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.07 36.39 4.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.776 0.798 . . . . 0.0 110.961 172.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.81 -16.67 40.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.476 0.655 . . . . 0.0 112.346 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 tt -70.54 -29.66 66.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.065 0.936 . . . . 0.0 110.9 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.43 0.633 . . . . 0.0 111.313 173.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -49.83 -42.13 46.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.743 0.783 . . . . 0.0 110.59 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -85.64 -98.6 0.07 Allowed 'General case' 0 C--O 1.243 0.755 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.844 171.318 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.65 ' HD3' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 56.85 -86.83 0.02 OUTLIER 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.961 -0.462 . . . . 0.0 111.296 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.65 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 13.6 tt0 -38.38 -71.07 0.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.044 -1.035 . . . . 0.0 113.384 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -35.66 -32.28 0.02 OUTLIER 'General case' 0 C--O 1.253 1.246 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -177.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.04 -44.15 7.23 Favored Glycine 0 C--N 1.318 -0.468 0 O-C-N 120.967 -1.083 . . . . 0.0 110.784 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -45.73 -33.73 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.889 -0.771 . . . . 0.0 111.579 172.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.453 HG23 ' CD ' ' A' ' 21' ' ' LYS . 11.8 m -63.46 -41.43 98.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.796 0.808 . . . . 0.0 111.05 -174.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.34 -31.34 71.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.528 0.68 . . . . 0.0 111.344 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -92.53 27.88 2.16 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.703 -0.623 . . . . 0.0 112.305 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -132.91 -42.43 0.9 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.889 0.852 . . . . 0.0 110.874 172.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CD ' HG23 ' A' ' 17' ' ' THR . 0.9 OUTLIER -79.55 -23.27 42.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.337 0.589 . . . . 0.0 111.85 176.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -66.58 -30.77 71.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.421 0.629 . . . . 0.0 111.636 172.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.37 89.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.696 0.76 . . . . 0.0 111.268 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.47 -40.92 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.702 0.763 . . . . 0.0 111.275 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.43 -21.96 66.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.344 0.592 . . . . 0.0 111.736 176.373 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.545 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -68.09 -33.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.5 0.667 . . . . 0.0 111.46 173.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -33.94 77.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.175 0.988 . . . . 0.0 110.675 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -29.13 65.92 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.805 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.775 HD11 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.35 -33.99 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.71 -172.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.832 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.27 -47.0 82.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.831 0.824 . . . . 0.0 110.997 174.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.832 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.7 tt0 -93.74 45.64 1.16 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.592 0.71 . . . . 0.0 111.516 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.19 39.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.003 0.906 . . . . 0.0 111.055 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.82 28.98 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.471 0.653 . . . . 0.0 111.807 -177.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -125.38 -48.93 1.68 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.714 0.769 . . . . 0.0 111.075 179.066 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.593 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.1 p 68.06 20.27 9.08 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 88.08 -23.87 0.11 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.442 1.097 . . . . 0.0 112.288 171.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -125.98 -45.79 1.71 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.802 0.811 . . . . 0.0 111.097 172.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.14 0 CA-C-O 121.999 0.904 . . . . 0.0 110.989 -172.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.836 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 121.655 0.74 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.836 ' HD2' HG23 ' A' ' 1' ' ' THR . 74.4 Cg_exo -54.97 -158.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.572 1 C-N-CA 126.259 4.639 . . . . 0.0 114.677 174.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.561 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 6.2 t70 -59.06 92.68 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.857 0.837 . . . . 0.0 110.895 172.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.735 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 6.0 p -61.88 -26.69 40.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.402 0.62 . . . . 0.0 111.583 -172.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -56.41 -62.82 1.46 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.877 0.846 . . . . 0.0 110.935 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -98.74 35.31 1.87 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.834 0.826 . . . . 0.0 111.246 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.735 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . . . -94.39 148.68 21.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.611 1.196 . . . . 0.0 109.557 170.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.8 OUTLIER 38.86 31.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.751 1.739 . . . . 0.0 113.148 -169.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -97.71 -42.06 7.8 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.933 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -58.7 -45.03 90.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.935 0.874 . . . . 0.0 111.054 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 14' ' ' PHE . 3.7 mm? -75.4 -2.13 27.13 Favored 'General case' 0 C--O 1.252 1.207 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -172.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -51.82 154.81 1.93 Allowed 'General case' 0 C--O 1.255 1.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 8.4 tp10 73.82 -73.89 0.09 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.713 -1.242 . . . . 0.0 110.721 -168.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.739 ' CD1' HD11 ' A' ' 11' ' ' LEU . 4.0 t80 -41.4 -22.84 0.02 OUTLIER 'General case' 0 C--O 1.259 1.598 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 174.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -94.43 -34.16 6.49 Favored Glycine 0 C--N 1.316 -0.531 0 CA-C-N 120.321 1.419 . . . . 0.0 110.907 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -56.41 -43.14 79.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.799 0.809 . . . . 0.0 111.02 175.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -54.72 -38.54 67.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.753 0.787 . . . . 0.0 110.946 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 9.4 tp -51.45 -47.72 62.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.688 0.756 . . . . 0.0 111.016 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.54 ' HG3' ' NH1' ' A' ' 23' ' ' ARG . 4.2 tp10 -68.14 -46.91 69.52 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.42 0.629 . . . . 0.0 111.751 -172.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.98 -48.99 76.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.713 0.768 . . . . 0.0 111.399 -172.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -13.07 59.12 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.642 -0.661 . . . . 0.0 112.126 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -78.61 -23.98 45.64 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.354 -0.841 . . . . 0.0 111.941 172.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.54 ' NH1' ' HG3' ' A' ' 19' ' ' GLU . 1.6 mpt_? -70.99 -40.58 71.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.0 111.171 -178.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.31 -38.95 49.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.1 0.952 . . . . 0.0 110.976 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -26.5 68.22 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.528 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 22' ' ' ALA . 3.2 mt -66.09 -26.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 121.592 -0.693 . . . . 0.0 111.386 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -67.28 -33.81 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.468 1.127 . . . . 0.0 110.036 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -65.12 -31.91 73.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.448 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -43.28 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.004 0.907 . . . . 0.0 110.757 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.47 94.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.803 0.811 . . . . 0.0 111.073 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.79 47.85 1.25 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.558 -175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.67 38.32 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.741 0.782 . . . . 0.0 111.106 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.77 22.9 8.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.49 0.662 . . . . 0.0 111.861 -172.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD22 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -60.93 -42.77 98.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.729 0.776 . . . . 0.0 110.954 -172.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.68 29.78 3.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.53 0.681 . . . . 0.0 111.311 -176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.01 63.78 0.79 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.952 0.882 . . . . 0.0 110.897 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.15 1.84 4.15 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.173 0 CA-C-O 121.991 0.9 . . . . 0.0 110.955 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -57.31 -145.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.713 1 C-N-CA 126.511 4.807 . . . . 0.0 114.178 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.662 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 24.6 t70 -88.5 49.59 1.82 Allowed 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.134 -0.979 . . . . 0.0 110.815 170.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 2.4 t -118.18 26.41 3.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 123.208 1.48 . . . . 0.0 110.798 -174.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -53.53 2.73 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.669 -1.269 . . . . 0.0 110.684 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -112.79 40.46 2.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.895 0.855 . . . . 0.0 110.823 172.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 3' ' ' ASP . . . -85.46 -24.33 27.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.708 0.766 . . . . 0.0 112.063 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' HD21 ' A' ' 8' ' ' LEU . 1.2 tm? -73.11 -30.53 63.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.031 0.919 . . . . 0.0 110.751 172.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.87 -44.71 59.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.849 0.833 . . . . 0.0 110.947 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -53.92 -35.56 61.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.823 0.821 . . . . 0.0 110.928 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' HG ' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -82.32 -92.58 0.06 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.33 0.586 . . . . 0.0 110.632 172.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER 58.42 -86.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.91 -0.494 . . . . 0.0 111.236 -172.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.56 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 172.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' HD2' ' HG ' ' A' ' 11' ' ' LEU . 4.2 t80 -43.91 -22.39 0.06 Allowed 'General case' 0 C--O 1.257 1.493 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.55 -38.26 6.68 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 120.274 1.397 . . . . 0.0 110.636 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.22 -25.91 25.58 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.748 -0.854 . . . . 0.0 111.841 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 37.7 m -46.35 -47.1 18.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.411 0.624 . . . . 0.0 112.008 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -53.05 -46.2 68.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 111.534 179.219 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.99 31.54 1.41 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 121.701 -0.625 . . . . 0.0 112.612 -172.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.77 -48.95 0.88 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.931 0.872 . . . . 0.0 111.225 172.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -75.15 -20.26 59.46 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.336 0.589 . . . . 0.0 111.731 174.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.55 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -80.34 -26.63 38.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.748 0.785 . . . . 0.0 111.026 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -47.62 85.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.732 0.777 . . . . 0.0 111.254 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -78.12 -40.1 39.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.862 0.839 . . . . 0.0 111.23 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -23.15 67.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.294 0.568 . . . . 0.0 111.807 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -66.46 -29.47 46.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.756 0.788 . . . . 0.0 111.211 175.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -43.26 77.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.92 0.867 . . . . 0.0 110.949 172.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -60.37 -28.92 68.59 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.372 0.606 . . . . 0.0 112.027 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -36.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.848 0.832 . . . . 0.0 111.091 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD3' ' HB2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.54 -32.62 74.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.403 -179.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.536 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -92.81 43.4 1.12 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.599 0.714 . . . . 0.0 111.931 -172.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 t -164.95 28.83 0.06 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.503 0.668 . . . . 0.0 111.628 172.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.28 25.24 4.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.536 0.684 . . . . 0.0 111.656 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 34' ' ' LEU . 1.5 pt? -58.95 -40.29 84.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.899 1.333 . . . . 0.0 111.729 -172.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.419 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 4.6 p -155.12 25.14 0.42 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.869 1.795 . . . . 0.0 108.933 171.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -66.84 0.32 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.758 -166.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.81 30.13 3.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.815 0.817 . . . . 0.0 110.966 176.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.143 0 CA-C-O 122.012 0.911 . . . . 0.0 110.988 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.814 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 121.647 0.736 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.814 ' HD2' HG23 ' A' ' 1' ' ' THR . 73.3 Cg_exo -55.54 -157.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 126.27 4.647 . . . . 0.0 114.612 174.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.27 91.1 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 172.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.05 -17.39 22.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.353 -172.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -65.09 -49.82 68.54 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.418 -0.801 . . . . 0.0 111.146 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.96 34.3 3.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.52 0.676 . . . . 0.0 111.157 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.81 -23.25 21.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.675 0.75 . . . . 0.0 112.291 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -31.56 64.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.082 0.944 . . . . 0.0 110.603 171.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -51.4 -42.37 61.39 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.777 -0.577 . . . . 0.0 112.232 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -34.94 58.73 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.623 0.725 . . . . 0.0 110.947 -171.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 1.084 HD21 ' CD2' ' A' ' 14' ' ' PHE . 90.3 mt -78.39 -98.47 0.03 OUTLIER 'General case' 0 C--O 1.245 0.836 0 O-C-N 122.03 -0.419 . . . . 0.0 110.342 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 tptt 58.54 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.611 -0.681 . . . . 0.0 111.764 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -38.03 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.477 -0.764 . . . . 0.0 112.899 172.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 1.084 ' CD2' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.61 -31.88 0.03 OUTLIER 'General case' 0 C--O 1.253 1.248 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -177.201 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' HD22 ' A' ' 18' ' ' LEU . . . -71.22 -52.52 13.17 Favored Glycine 0 C--N 1.317 -0.513 0 O-C-N 120.985 -1.072 . . . . 0.0 111.128 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -48.2 -35.64 12.21 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.737 -0.861 . . . . 0.0 112.14 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.502 HG23 ' CD ' ' A' ' 21' ' ' LYS . 86.8 m -70.06 -27.06 64.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.516 HD22 ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -82.65 -19.93 37.27 Favored 'General case' 0 C--O 1.244 0.794 0 O-C-N 121.725 -0.61 . . . . 0.0 112.102 172.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.12 29.96 2.02 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.585 -0.697 . . . . 0.0 112.26 174.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -143.93 -42.08 0.27 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.132 0.968 . . . . 0.0 110.449 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CD ' HG23 ' A' ' 17' ' ' THR . 5.7 mtpt -64.11 -46.3 84.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.678 0.751 . . . . 0.0 110.713 171.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -55.88 -29.7 60.37 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.279 0.561 . . . . 0.0 111.927 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -58.03 4.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.661 0.743 . . . . 0.0 111.306 -172.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.71 -39.45 93.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.349 1.071 . . . . 0.0 110.915 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -74.08 -22.13 59.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.546 0.689 . . . . 0.0 111.337 -174.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.26 -32.94 56.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.762 0.791 . . . . 0.0 111.039 172.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.47 80.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.102 0.953 . . . . 0.0 110.639 172.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -65.72 -22.82 66.64 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.377 172.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.09 7.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.066 0.936 . . . . 0.0 110.688 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.08 -39.49 63.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.989 0.9 . . . . 0.0 110.822 172.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.51 46.79 1.26 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.638 0.732 . . . . 0.0 111.529 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -168.24 43.01 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 111.022 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.42 30.78 5.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.711 0.767 . . . . 0.0 111.697 -172.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.581 HD22 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -48.5 -36.42 15.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.772 0.796 . . . . 0.0 111.37 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 m 51.35 35.08 13.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.639 0.733 . . . . 0.0 111.244 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 57.46 1.24 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.907 0.86 . . . . 0.0 110.898 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.5 36.18 6.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 111.013 174.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.127 0 CA-C-O 121.945 0.878 . . . . 0.0 110.616 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.995 0.902 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.27 176.71 0.49 Allowed 'Trans proline' 0 N--CA 1.528 3.546 1 C-N-CA 126.294 4.663 . . . . 0.0 114.693 174.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 4' ' ' VAL . 1.0 OUTLIER 31.47 -89.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.195 1.398 . . . . 0.0 113.751 172.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 3' ' ' ASP . 1.9 p 50.47 27.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 121.548 -0.72 . . . . 0.0 111.648 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.69 -39.24 3.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.943 0.878 . . . . 0.0 110.924 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -131.08 35.2 3.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.698 0.761 . . . . 0.0 111.026 174.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.49 31.56 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.76 0.791 . . . . 0.0 112.065 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.55 -30.72 71.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.167 0.984 . . . . 0.0 110.53 172.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.82 -41.07 97.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.899 0.857 . . . . 0.0 110.852 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -58.36 -35.86 72.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.745 0.784 . . . . 0.0 110.968 -174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -88.42 -93.97 0.1 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 174.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.35 -85.35 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.766 -0.584 . . . . 0.0 111.653 -174.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -37.43 -72.77 0.05 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 172.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -33.35 -40.22 0.06 Allowed 'General case' 0 C--O 1.248 0.988 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -179.549 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -67.67 -51.33 36.54 Favored Glycine 0 C--N 1.318 -0.44 0 O-C-N 121.308 -0.87 . . . . 0.0 111.266 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -47.05 -34.09 5.47 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.809 -0.818 . . . . 0.0 111.923 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.6 m -57.93 -40.75 81.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.538 0.685 . . . . 0.0 111.434 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.642 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -69.35 -33.58 73.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.458 0.647 . . . . 0.0 111.364 -178.227 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 30.58 5.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.517 0.675 . . . . 0.0 112.001 -173.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.72 -44.74 0.53 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.918 . . . . 0.0 110.721 172.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -67.86 -35.46 78.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.84 0.828 . . . . 0.0 110.891 172.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -83.85 -25.12 30.55 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.101 0.477 . . . . 0.0 112.002 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.433 ' HA ' HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.31 -23.29 35.23 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.694 -0.628 . . . . 0.0 111.957 -176.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 23' ' ' ARG . 15.5 mt-10 -85.38 -40.47 16.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.93 0.871 . . . . 0.0 111.006 172.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.435 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.86 -22.69 66.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.325 0.584 . . . . 0.0 111.882 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -65.31 -26.89 40.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.599 0.714 . . . . 0.0 111.397 178.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.798 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -71.22 -40.32 71.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.907 0.86 . . . . 0.0 110.836 172.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' NE ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.17 -27.1 68.16 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 111.778 172.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.409 HD12 ' NE ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -82.75 -34.54 11.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.833 0.825 . . . . 0.0 110.925 -173.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.92 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.45 -30.82 71.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.619 0.723 . . . . 0.0 111.286 -177.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.92 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 1.9 tt0 -92.53 47.64 1.32 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.363 0.602 . . . . 0.0 111.658 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -168.71 34.69 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.684 0.754 . . . . 0.0 111.376 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.08 29.53 5.59 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.795 -0.566 . . . . 0.0 112.058 -172.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.111 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -82.25 -35.96 27.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.706 0.765 . . . . 0.0 111.185 175.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m 51.07 27.4 3.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.945 0.878 . . . . 0.0 110.413 -171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.111 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -85.75 -59.93 2.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.94 0.876 . . . . 0.0 110.809 -172.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -97.58 -35.75 10.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.87 0.843 . . . . 0.0 110.883 172.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.176 0 CA-C-O 121.969 0.89 . . . . 0.0 110.767 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 121.97 0.89 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.17 -160.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.5 1 C-N-CA 126.529 4.819 . . . . 0.0 114.892 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.42 100.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.802 0.811 . . . . 0.0 111.0 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -101.52 28.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.658 0.742 . . . . 0.0 111.262 -178.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -110.71 -39.48 4.85 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.959 0.885 . . . . 0.0 110.828 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -109.2 34.63 3.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.799 0.809 . . . . 0.0 110.999 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.84 -19.92 14.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.605 0.717 . . . . 0.0 112.169 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -29.53 67.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.738 0.78 . . . . 0.0 111.112 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.41 -44.42 55.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.796 0.808 . . . . 0.0 111.05 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -68.03 -32.09 72.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.736 0.779 . . . . 0.0 110.935 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.66 37.38 2.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.131 0.967 . . . . 0.0 111.203 177.317 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -89.75 57.47 3.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.956 0.884 . . . . 0.0 110.298 171.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.4 tp10 172.72 -81.3 0.0 OUTLIER 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.519 -0.738 . . . . 0.0 110.272 -171.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -39.67 -27.76 0.04 OUTLIER 'General case' 0 C--O 1.258 1.513 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.428 ' HA2' ' HG ' ' A' ' 18' ' ' LEU . . . -91.48 -37.33 6.21 Favored Glycine 0 N--CA 1.465 0.58 0 O-C-N 120.614 -1.304 . . . . 0.0 110.805 -175.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.88 -37.62 32.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.875 0.845 . . . . 0.0 111.018 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.1 m -68.79 -31.48 70.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.936 0.874 . . . . 0.0 110.975 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 8.6 mt -58.59 -39.13 79.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.816 0.817 . . . . 0.0 111.048 174.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -96.05 31.91 2.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.555 0.693 . . . . 0.0 111.873 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.06 -45.12 0.71 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.832 0.825 . . . . 0.0 110.924 172.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -23.84 23.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.458 0.647 . . . . 0.0 111.499 -177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.582 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -74.72 -10.84 59.9 Favored 'General case' 0 C--O 1.245 0.845 0 O-C-N 121.642 -0.661 . . . . 0.0 112.423 172.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -41.42 98.12 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 111.138 172.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -82.77 -42.25 18.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.05 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.67 66.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.348 0.594 . . . . 0.0 111.79 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -64.45 -30.09 49.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.776 0.798 . . . . 0.0 111.085 179.036 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.61 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.69 -35.26 79.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.916 173.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -73.63 -27.89 61.51 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.291 0.567 . . . . 0.0 112.046 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.69 -31.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.652 0.739 . . . . 0.0 111.266 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -60.18 -36.51 77.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.926 0.869 . . . . 0.0 111.027 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.51 42.35 1.1 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.317 0.579 . . . . 0.0 112.036 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 36.86 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 111.703 172.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.84 30.92 4.57 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.608 -0.682 . . . . 0.0 111.983 176.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.627 HD22 ' H ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -107.68 -51.83 2.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 111.081 173.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' A' ' 38' ' ' MET . 1.1 t 65.61 20.02 11.54 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -174.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 91.16 -37.39 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.911 1.284 . . . . 0.0 111.325 172.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.49 39.89 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.591 -0.693 . . . . 0.0 111.307 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.597 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.141 0 CA-C-O 122.03 0.919 . . . . 0.0 110.922 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.909 0.861 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -53.73 -171.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.553 1 C-N-CA 126.389 4.726 . . . . 0.0 114.766 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.692 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 20.7 t70 -54.78 99.26 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.854 0.835 . . . . 0.0 110.909 172.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.53 36.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.762 0.791 . . . . 0.0 111.069 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -107.65 -38.05 5.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.869 0.842 . . . . 0.0 110.89 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -129.49 36.49 4.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.762 0.792 . . . . 0.0 111.029 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.692 ' HB1' ' O ' ' A' ' 3' ' ' ASP . . . -88.62 -23.59 23.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.616 0.722 . . . . 0.0 112.143 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.41 -32.56 74.02 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.682 0.753 . . . . 0.0 110.975 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.15 -39.45 63.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.825 0.821 . . . . 0.0 111.025 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -56.61 -38.35 71.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.909 0.861 . . . . 0.0 110.953 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -85.26 -85.94 0.14 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.913 0.863 . . . . 0.0 111.001 175.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.09 -87.63 0.02 OUTLIER 'General case' 0 C--O 1.242 0.688 0 O-C-N 121.931 -0.481 . . . . 0.0 110.714 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -46.97 -79.38 0.01 OUTLIER 'General case' 0 C--O 1.243 0.716 0 O-C-N 121.465 -0.772 . . . . 0.0 112.436 172.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.528 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -43.73 -19.91 0.02 OUTLIER 'General case' 0 C--O 1.26 1.605 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 -175.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.757 ' HA2' HD22 ' A' ' 18' ' ' LEU . . . -84.4 -44.09 6.7 Favored Glycine 0 C--N 1.316 -0.533 0 CA-C-N 120.564 1.529 . . . . 0.0 111.174 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -45.44 -38.11 5.78 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.777 -0.837 . . . . 0.0 111.792 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 m -65.52 -44.85 85.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.802 0.81 . . . . 0.0 111.162 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.757 HD22 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -73.75 -11.03 60.26 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 175.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -93.28 22.2 5.38 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.32 -0.863 . . . . 0.0 112.134 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -118.38 -34.96 3.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 122.235 1.017 . . . . 0.0 110.459 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -78.59 -41.92 30.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.65 0.738 . . . . 0.0 110.99 172.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -45.64 -25.95 0.54 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.881 0.848 . . . . 0.0 110.866 172.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -88.37 132.13 34.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.156 170.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' ARG . 5.6 mt-10 89.37 -30.36 0.03 OUTLIER 'General case' 0 C--O 1.245 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 111.102 -172.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.807 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -87.92 -21.74 24.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.491 0.662 . . . . 0.0 110.883 170.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.557 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -65.04 -28.67 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.613 0.721 . . . . 0.0 111.323 174.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.81 78.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.0 0.905 . . . . 0.0 111.124 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.71 -30.3 71.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.444 0.64 . . . . 0.0 111.961 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -33.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.799 0.809 . . . . 0.0 111.077 -172.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -32.91 69.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.651 0.738 . . . . 0.0 111.25 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.11 40.76 1.07 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.394 0.616 . . . . 0.0 111.668 -174.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 t -172.47 45.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.774 0.797 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.76 23.42 7.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.431 0.634 . . . . 0.0 111.867 -173.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.122 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -59.68 -37.85 79.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.859 0.838 . . . . 0.0 111.086 -174.346 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 56.73 25.11 9.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.716 0.769 . . . . 0.0 110.884 -171.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.122 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -75.43 -48.75 21.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.326 1.06 . . . . 0.0 110.527 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.52 -47.94 0.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.692 0.758 . . . . 0.0 111.054 172.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.011 0.91 . . . . 0.0 110.928 -175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 CA-C-O 121.97 0.891 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.569 ' HB2' ' HB1' ' A' ' 7' ' ' ALA . 88.1 Cg_exo -54.02 -162.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.465 1 C-N-CA 126.481 4.788 . . . . 0.0 114.947 176.054 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.497 ' O ' HG13 ' A' ' 4' ' ' VAL . 13.6 t70 -53.68 -26.11 21.25 Favored 'General case' 0 C--O 1.244 0.805 0 O-C-N 121.812 -0.555 . . . . 0.0 112.369 177.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 5' ' ' SER . 3.6 p 48.73 71.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 123.462 1.601 . . . . 0.0 110.53 -172.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 9.2 t 163.54 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.566 1.174 . . . . 0.0 110.242 -171.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 p -149.57 47.72 0.95 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.791 0.805 . . . . 0.0 110.849 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 2' ' ' PRO . . . -103.83 -24.14 13.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.031 0.919 . . . . 0.0 111.594 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.63 -25.22 61.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 172.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -52.64 -37.87 59.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.838 0.827 . . . . 0.0 110.963 172.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.49 88.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.769 0.795 . . . . 0.0 110.966 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -100.84 13.58 34.56 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.321 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -46.84 -76.06 0.03 OUTLIER 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.406 -0.808 . . . . 0.0 111.069 172.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -36.34 -70.16 0.09 Allowed 'General case' 0 C--O 1.244 0.785 0 O-C-N 120.751 -1.218 . . . . 0.0 113.657 170.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' HB3' HD11 ' A' ' 11' ' ' LEU . 50.6 t80 -46.5 -16.36 0.03 OUTLIER 'General case' 0 C--O 1.26 1.624 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -171.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.38 -41.14 2.83 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 120.794 1.634 . . . . 0.0 111.163 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -50.39 -32.39 17.42 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.882 -0.776 . . . . 0.0 111.475 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -60.06 -39.74 87.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.682 0.753 . . . . 0.0 111.17 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 4.5 mt -64.74 -35.87 82.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.687 0.756 . . . . 0.0 111.031 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.19 26.34 4.84 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.146 0.498 . . . . 0.0 112.328 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -134.91 -48.24 0.74 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.745 0.783 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.11 -20.63 55.39 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.766 -0.584 . . . . 0.0 111.726 175.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -87.47 -32.75 19.31 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 111.623 172.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HD2' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.31 -26.3 46.88 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.699 -0.626 . . . . 0.0 111.68 -172.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' HG3' ' HD2' ' A' ' 23' ' ' ARG . 15.3 mt-10 -79.88 -43.69 21.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.117 0.961 . . . . 0.0 110.565 171.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -22.19 66.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.322 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mt -69.49 -28.14 36.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.557 0.694 . . . . 0.0 111.625 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.661 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 t -75.72 -30.29 59.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.943 0.878 . . . . 0.0 110.801 172.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -68.99 -24.96 64.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.358 0.599 . . . . 0.0 111.56 171.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -35.08 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.037 0.922 . . . . 0.0 110.816 -176.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.82 -38.46 79.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.897 0.856 . . . . 0.0 110.959 179.331 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.507 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -90.92 45.99 1.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.638 0.732 . . . . 0.0 111.461 176.105 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -170.83 57.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.807 0.813 . . . . 0.0 111.04 -174.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.89 31.13 5.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.531 0.682 . . . . 0.0 111.895 -172.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD22 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -107.63 -50.17 3.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.958 0.885 . . . . 0.0 110.901 172.537 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.612 ' HB3' ' HB2' ' A' ' 38' ' ' MET . 0.2 OUTLIER 52.98 37.23 24.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.801 0.81 . . . . 0.0 111.187 -173.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 62.22 56.18 2.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.895 0.855 . . . . 0.0 111.114 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt 70.88 36.42 1.5 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.724 0.773 . . . . 0.0 111.346 172.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.612 ' HB2' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.128 0 CA-C-O 122.013 0.911 . . . . 0.0 110.948 172.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.834 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 121.576 0.703 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.834 ' HD2' HG23 ' A' ' 1' ' ' THR . 77.1 Cg_exo -56.41 -157.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.601 1 C-N-CA 126.232 4.621 . . . . 0.0 114.272 174.492 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.04 89.58 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.79 0.805 . . . . 0.0 110.758 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 5' ' ' SER . 2.8 p -75.07 88.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.077 0.941 . . . . 0.0 111.101 -172.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER 163.2 -46.87 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.315 1.055 . . . . 0.0 110.342 -172.188 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.97 49.84 2.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.989 0.899 . . . . 0.0 110.807 172.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.21 -24.81 11.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.051 0.929 . . . . 0.0 111.543 174.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.03 -27.7 63.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.658 0.742 . . . . 0.0 110.992 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.05 -36.25 62.88 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.738 -0.601 . . . . 0.0 111.368 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -48.58 -44.82 37.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.937 0.875 . . . . 0.0 110.739 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.788 HD21 ' CD2' ' A' ' 14' ' ' PHE . 71.0 mt -74.18 -89.59 0.03 OUTLIER 'General case' 0 C--O 1.246 0.898 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.605 172.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HE2' ' HB2' ' A' ' 12' ' ' LYS . 0.6 OUTLIER 57.44 -86.99 0.02 OUTLIER 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.424 -0.798 . . . . 0.0 110.21 -172.364 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 1.3 tt0 -40.47 -60.85 1.02 Allowed 'General case' 0 C--O 1.249 1.037 0 O-C-N 120.823 -1.173 . . . . 0.0 113.998 166.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.788 ' CD2' HD21 ' A' ' 11' ' ' LEU . 3.6 t80 -43.23 -19.03 0.02 OUTLIER 'General case' 0 C--O 1.259 1.6 0 O-C-N 120.292 -1.505 . . . . 0.0 114.751 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.79 -36.13 3.07 Favored Glycine 0 C--N 1.317 -0.528 0 CA-C-N 120.896 1.68 . . . . 0.0 110.981 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -47.17 -46.27 23.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.023 0.916 . . . . 0.0 111.192 172.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.65 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 91.4 m -74.14 -38.36 63.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.634 0.731 . . . . 0.0 111.562 -172.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -17.09 60.99 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.8 19.92 6.09 Favored 'General case' 0 C--O 1.245 0.845 0 O-C-N 121.337 -0.852 . . . . 0.0 112.583 174.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -123.17 -41.38 2.32 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.803 0.811 . . . . 0.0 110.817 171.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -84.73 -29.7 25.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.651 0.738 . . . . 0.0 111.387 -177.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.541 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -65.1 -24.11 67.34 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 121.184 0.516 . . . . 0.0 111.874 172.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -49.74 65.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.945 0.879 . . . . 0.0 111.221 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.84 -39.34 35.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.023 0.916 . . . . 0.0 110.917 -175.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.684 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.285 0.564 . . . . 0.0 111.555 172.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.439 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.3 mt -68.2 -31.11 50.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.789 0.804 . . . . 0.0 111.181 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.448 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -60.35 -35.66 76.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.906 0.86 . . . . 0.0 110.919 172.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -73.56 -30.15 62.87 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.396 0.617 . . . . 0.0 111.938 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.684 HD11 ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -68.65 -32.66 55.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.068 0.937 . . . . 0.0 110.651 -172.729 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -49.94 -40.7 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.856 0.836 . . . . 0.0 111.084 172.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.572 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -91.84 44.67 1.18 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.503 0.668 . . . . 0.0 111.567 179.681 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.97 48.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.882 0.849 . . . . 0.0 111.191 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.34 29.93 7.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.746 -172.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CG ' ' H ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -135.51 -81.42 0.42 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.645 1.212 . . . . 0.0 110.72 173.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.9 OUTLIER 96.51 16.34 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.925 1.69 . . . . 0.0 111.373 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 86.45 -20.4 0.24 Allowed 'General case' 0 C--O 1.246 0.882 0 C-N-CA 124.427 1.091 . . . . 0.0 112.397 171.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.41 -13.45 17.27 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.328 -0.858 . . . . 0.0 111.977 172.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.402 ' CB ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.192 0 CA-C-O 121.929 0.871 . . . . 0.0 110.389 172.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.416 HG21 ' HD2' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.795 0 CA-C-O 121.883 0.849 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HD2' HG21 ' A' ' 1' ' ' THR . 84.0 Cg_exo -54.52 -157.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.528 1 C-N-CA 126.679 4.92 . . . . 0.0 114.993 175.103 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.8 101.28 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.005 0.907 . . . . 0.0 111.798 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 p -107.13 35.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -38.15 7.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.889 0.852 . . . . 0.0 110.96 173.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -125.93 46.96 2.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.821 0.82 . . . . 0.0 110.984 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.83 -24.05 14.1 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.688 0.756 . . . . 0.0 112.132 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -69.7 -28.85 66.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.848 0.832 . . . . 0.0 110.909 172.557 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.65 -42.42 88.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.829 0.824 . . . . 0.0 110.984 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -36.03 64.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.925 0.869 . . . . 0.0 110.945 -173.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.731 ' CD1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -96.62 -80.58 0.43 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.894 0.854 . . . . 0.0 111.12 174.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 -95.09 0.05 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.309 -172.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.32 -0.863 . . . . 0.0 113.04 171.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.731 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 12.7 t80 -45.99 -10.69 0.02 OUTLIER 'General case' 0 C--O 1.258 1.521 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.53 -45.62 4.88 Favored Glycine 0 N--CA 1.464 0.55 0 CA-C-N 120.463 1.483 . . . . 0.0 111.915 172.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.01 -52.23 20.74 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.649 -0.912 . . . . 0.0 111.451 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -63.92 -30.27 71.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.344 0.593 . . . . 0.0 111.615 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -75.52 -24.75 56.84 Favored 'General case' 0 C--O 1.244 0.768 0 O-C-N 121.789 -0.569 . . . . 0.0 112.228 -174.197 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.35 -41.62 47.58 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.618 0.723 . . . . 0.0 111.526 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.541 ' HA ' ' HG3' ' A' ' 23' ' ' ARG . 10.7 t0 -75.02 -15.82 60.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.058 0.456 . . . . 0.0 111.842 173.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -74.48 -51.75 13.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.897 0.856 . . . . 0.0 111.6 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.628 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -67.88 -21.66 65.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.384 0.611 . . . . 0.0 111.75 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' HG3' ' HA ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -56.98 -75.33 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.997 0.903 . . . . 0.0 111.907 172.376 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 27' ' ' SER . 70.6 tt0 -52.17 -49.22 64.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.954 0.883 . . . . 0.0 112.26 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -26.74 67.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.75 -0.594 . . . . 0.0 111.494 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -68.37 -35.7 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.036 0.922 . . . . 0.0 111.224 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 13.3 t -60.07 -29.61 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.615 0.721 . . . . 0.0 111.213 172.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -80.75 -29.03 36.29 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.422 0.63 . . . . 0.0 111.973 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.99 49.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.929 0.871 . . . . 0.0 110.776 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.02 74.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.815 0.817 . . . . 0.0 111.019 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.67 51.12 1.81 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.738 0.78 . . . . 0.0 111.402 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -166.15 34.3 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 110.959 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.68 30.15 6.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.446 0.641 . . . . 0.0 111.708 -175.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -113.07 -39.85 4.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.885 0.85 . . . . 0.0 111.033 176.407 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.631 ' HB3' ' HB2' ' A' ' 38' ' ' MET . 0.2 OUTLIER 49.86 36.79 12.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.73 0.776 . . . . 0.0 111.059 -172.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.98 57.02 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.869 0.843 . . . . 0.0 110.939 172.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tttt 60.55 37.54 19.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.776 0.798 . . . . 0.0 111.036 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.631 ' HB2' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.171 0 CA-C-O 121.997 0.903 . . . . 0.0 110.98 173.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 121.938 0.875 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.9 -165.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.456 4.771 . . . . 0.0 114.795 176.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.722 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 48.3 t0 -51.47 99.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.865 0.841 . . . . 0.0 110.968 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 p -95.56 -25.96 4.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.531 0.682 . . . . 0.0 111.545 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -55.07 -55.5 30.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.856 0.836 . . . . 0.0 110.941 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.07 35.16 2.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.636 0.731 . . . . 0.0 111.348 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.722 ' HB1' ' O ' ' A' ' 3' ' ' ASP . . . -98.91 -19.35 17.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.469 0.652 . . . . 0.0 112.333 172.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.2 tm? -75.91 -29.22 58.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.831 0.824 . . . . 0.0 110.966 172.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -48.32 -44.55 34.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.779 0.8 . . . . 0.0 111.04 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.13 -38.96 68.89 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.949 0.88 . . . . 0.0 110.965 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' N ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -71.28 -76.47 0.11 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.646 0.736 . . . . 0.0 110.83 177.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 21.94 57.03 0.02 OUTLIER 'General case' 0 C--O 1.246 0.873 0 C-N-CA 124.987 1.315 . . . . 0.0 113.75 -171.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.1 tp10 168.8 -81.3 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.027 -1.045 . . . . 0.0 110.175 -172.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -45.36 -24.75 0.32 Allowed 'General case' 0 C--O 1.26 1.631 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 168.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.47 -29.39 7.07 Favored Glycine 0 C--N 1.315 -0.584 0 CA-C-N 120.411 1.459 . . . . 0.0 110.764 -172.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -58.01 -34.89 70.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.82 0.819 . . . . 0.0 110.889 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.8 m -64.35 -29.35 70.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.256 0.551 . . . . 0.0 111.679 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.64 -45.94 49.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.822 0.82 . . . . 0.0 111.252 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -22.58 64.11 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.223 0.535 . . . . 0.0 111.922 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.75 -17.74 26.16 Favored 'General case' 0 C--O 1.246 0.873 0 O-C-N 121.552 -0.718 . . . . 0.0 112.456 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.66 57.07 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.36 -0.838 . . . . 0.0 111.622 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -83.89 -32.22 25.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.574 0.702 . . . . 0.0 111.481 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -59.23 2.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.924 0.869 . . . . 0.0 111.089 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.07 -47.92 79.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.773 0.796 . . . . 0.0 111.963 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -30.27 61.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.378 0.609 . . . . 0.0 111.444 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.565 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.14 -33.39 58.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.058 0.932 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 t -61.74 -29.24 69.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.591 0.71 . . . . 0.0 111.332 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -81.38 -28.3 34.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.397 0.618 . . . . 0.0 111.94 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -33.26 23.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.882 0.849 . . . . 0.0 111.109 -172.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD3' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -76.13 -35.23 59.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.88 0.848 . . . . 0.0 111.333 -172.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 30.85 1.42 Allowed 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.878 -0.514 . . . . 0.0 112.356 -172.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.457 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -167.95 30.59 0.03 OUTLIER 'General case' 0 C--O 1.245 0.844 0 O-C-N 121.77 -0.581 . . . . 0.0 112.224 176.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.45 22.96 2.73 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD22 ' H ' ' A' ' 34' ' ' LEU . 2.1 pt? -84.28 -45.16 13.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 172.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.455 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -154.71 29.16 0.43 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 123.86 1.79 . . . . 0.0 108.386 176.002 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 32' ' ' SER . . . -52.16 -64.02 0.95 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 113.547 -1.66 . . . . 0.0 111.396 -166.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.39 -7.06 5.82 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.416 172.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.16 0 O-C-N 121.17 -0.956 . . . . 0.0 111.015 -171.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 121.934 0.873 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.55 -161.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.521 1 C-N-CA 126.459 4.773 . . . . 0.0 114.853 176.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 14.8 t0 -50.47 105.31 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.916 0.865 . . . . 0.0 111.021 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.403 HG11 ' O ' ' A' ' 4' ' ' VAL . 3.5 p -98.47 37.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.782 0.801 . . . . 0.0 111.056 178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' HB2' ' OD1' ' A' ' 3' ' ' ASP . 1.8 m -108.48 -32.81 7.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.859 0.838 . . . . 0.0 111.005 172.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -125.68 36.36 4.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.819 0.819 . . . . 0.0 111.065 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.52 -22.1 15.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.789 0.805 . . . . 0.0 112.149 172.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.94 -28.6 64.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.643 0.735 . . . . 0.0 111.264 172.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.22 -38.53 58.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.548 0.69 . . . . 0.0 111.106 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.33 -40.72 62.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.872 0.844 . . . . 0.0 110.924 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.653 HD21 ' CD2' ' A' ' 14' ' ' PHE . 74.9 mt -70.29 -95.59 0.01 OUTLIER 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 173.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.74 -87.5 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.614 -0.679 . . . . 0.0 111.492 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -39.55 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.483 -0.761 . . . . 0.0 112.841 173.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.653 ' CD2' HD21 ' A' ' 11' ' ' LEU . 2.1 t80 -42.35 -23.6 0.04 OUTLIER 'General case' 0 C--O 1.258 1.505 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -173.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.83 -43.3 6.46 Favored Glycine 0 C--N 1.317 -0.505 0 CA-C-N 120.141 1.337 . . . . 0.0 110.795 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -35.27 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.866 -0.785 . . . . 0.0 111.241 172.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -55.63 -46.79 77.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.925 0.869 . . . . 0.0 110.929 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 18' ' ' LEU . 1.1 mt -61.71 -36.49 81.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.852 0.834 . . . . 0.0 110.988 177.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -95.84 31.83 2.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.561 0.696 . . . . 0.0 111.943 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.84 -49.32 1.04 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.951 0.881 . . . . 0.0 111.025 172.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -22.97 24.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.419 0.628 . . . . 0.0 111.51 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -74.98 -18.03 60.44 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.695 -0.628 . . . . 0.0 111.978 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -43.71 93.32 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.467 -0.771 . . . . 0.0 111.241 172.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.0 -41.59 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.909 0.862 . . . . 0.0 111.146 -172.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD23 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -64.66 -23.88 67.4 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.272 0.558 . . . . 0.0 111.693 174.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.661 ' HA ' HD11 ' A' ' 29' ' ' ILE . 4.9 mt -66.79 -26.84 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.265 177.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.547 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -64.77 -37.78 88.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.928 0.87 . . . . 0.0 110.916 172.633 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.56 -30.06 68.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.352 0.596 . . . . 0.0 111.709 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.709 HD13 HD23 ' A' ' 25' ' ' LEU . 1.6 mt -68.74 -39.81 80.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.926 0.869 . . . . 0.0 110.738 -173.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -57.06 -31.82 65.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.498 0.666 . . . . 0.0 111.444 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.31 28.17 1.5 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 36.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 111.842 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.75 22.42 3.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.41 0.624 . . . . 0.0 112.082 173.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.072 HD11 ' HB2' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -61.23 -35.17 76.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.692 0.758 . . . . 0.0 111.476 -172.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.62 26.58 5.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.261 1.029 . . . . 0.0 110.282 -170.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.072 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -108.1 36.54 2.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.909 0.862 . . . . 0.0 111.021 -172.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HZ2' ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 55.99 58.68 4.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.975 0.893 . . . . 0.0 110.935 -177.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.718 ' HG3' HD23 ' A' ' 34' ' ' LEU . 1.7 tmm? . . . . . 0 C--O 1.27 2.149 0 CA-C-O 122.016 0.912 . . . . 0.0 111.009 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.811 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.379 0.609 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.811 ' HD2' HG23 ' A' ' 1' ' ' THR . 63.2 Cg_exo -57.4 -151.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.531 3.705 1 C-N-CA 126.28 4.653 . . . . 0.0 114.259 174.405 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.55 -56.72 2.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.102 0.954 . . . . 0.0 111.127 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 1' ' ' THR . 2.6 p 48.44 26.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.991 172.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.42 -49.59 1.18 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.94 0.876 . . . . 0.0 110.685 -175.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -100.48 31.67 3.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.721 0.772 . . . . 0.0 110.921 172.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.36 -22.57 17.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.87 0.843 . . . . 0.0 112.026 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -78.46 -27.89 46.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.741 0.782 . . . . 0.0 110.989 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -48.93 -40.39 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 172.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -53.12 -40.01 63.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.813 0.816 . . . . 0.0 110.961 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 1.029 HD21 ' CD2' ' A' ' 14' ' ' PHE . 87.8 mt -77.1 -94.94 0.03 OUTLIER 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.586 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.85 -88.53 0.02 OUTLIER 'General case' 0 C--O 1.243 0.752 0 O-C-N 121.453 -0.779 . . . . 0.0 111.274 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -72.72 0.06 Allowed 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 172.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 1.029 ' CD2' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -33.95 -35.87 0.03 OUTLIER 'General case' 0 C--O 1.251 1.18 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -178.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.41 -42.01 10.87 Favored Glycine 0 C--N 1.318 -0.448 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -43.53 -37.61 2.55 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.807 -0.82 . . . . 0.0 111.596 171.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -66.82 -42.12 86.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.873 0.844 . . . . 0.0 110.912 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 3.0 mt -60.22 -32.27 70.96 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.53 0.681 . . . . 0.0 111.237 172.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.54 31.11 2.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.439 0.638 . . . . 0.0 111.882 -173.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -139.81 -45.46 0.44 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.833 0.825 . . . . 0.0 110.975 172.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -12.63 36.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -88.11 -4.98 58.69 Favored 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.399 -0.813 . . . . 0.0 112.657 172.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -67.91 -47.38 68.95 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.319 -0.863 . . . . 0.0 111.173 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.04 -41.83 70.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 110.955 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.556 HD23 HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -72.16 -22.34 61.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.339 0.59 . . . . 0.0 111.688 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.642 ' HA ' HD11 ' A' ' 29' ' ' ILE . 2.4 mt -60.06 -26.1 35.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.534 0.683 . . . . 0.0 111.448 172.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.85 91.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.987 0.898 . . . . 0.0 110.697 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -65.14 -29.31 70.14 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.388 0.613 . . . . 0.0 111.679 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 26' ' ' ILE . 1.2 mt -70.5 -37.82 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.258 1.028 . . . . 0.0 110.621 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.87 63.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.946 0.879 . . . . 0.0 111.046 172.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.02 35.05 1.3 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.546 0.688 . . . . 0.0 111.783 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -173.42 60.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.757 0.789 . . . . 0.0 110.939 175.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -124.44 30.16 6.1 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 121.846 -0.534 . . . . 0.0 112.345 -172.045 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.064 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -115.84 -40.67 3.3 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.612 -0.68 . . . . 0.0 111.58 172.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 53.76 27.89 7.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.744 1.259 . . . . 0.0 109.726 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.064 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -72.64 -65.96 0.72 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 122.264 1.031 . . . . 0.0 110.9 -171.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.1 34.0 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.728 0.775 . . . . 0.0 110.89 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.2 0 CA-C-O 121.975 0.893 . . . . 0.0 110.63 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.815 HG23 ' CB ' ' A' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.729 0 CA-C-O 122.025 0.917 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -57.37 -157.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.543 1 C-N-CA 126.333 4.689 . . . . 0.0 114.215 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.32 -14.83 29.96 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.887 -0.508 . . . . 0.0 112.167 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.23 45.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.334 -0.854 . . . . 0.0 112.122 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.815 ' CB ' HG23 ' A' ' 1' ' ' THR . 0.0 OUTLIER -90.66 -39.54 12.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 173.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -119.06 41.65 3.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.881 0.848 . . . . 0.0 111.06 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.96 -23.16 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 112.064 172.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.892 HD13 ' NZ ' ' A' ' 12' ' ' LYS . 2.2 tm? -66.86 -30.84 71.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.775 0.798 . . . . 0.0 111.117 172.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 12.3 t70 -54.63 -33.35 60.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.64 0.733 . . . . 0.0 111.252 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -70.25 -34.49 72.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.86 0.838 . . . . 0.0 110.866 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -106.22 34.69 3.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.605 0.717 . . . . 0.0 111.136 172.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.892 ' NZ ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.67 -76.3 0.02 OUTLIER 'General case' 0 C--O 1.248 0.99 0 CA-C-O 121.253 0.549 . . . . 0.0 111.879 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -39.21 -71.92 0.07 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 120.844 -1.16 . . . . 0.0 113.48 171.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -38.54 -27.6 0.02 OUTLIER 'General case' 0 C--O 1.255 1.391 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA2' HD21 ' A' ' 18' ' ' LEU . . . -79.0 -47.55 7.55 Favored Glycine 0 C--N 1.317 -0.501 0 O-C-N 120.809 -1.182 . . . . 0.0 110.681 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -41.38 -47.08 3.5 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.735 -0.862 . . . . 0.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.551 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 2.8 m -56.78 -48.11 78.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.543 0.687 . . . . 0.0 111.541 -172.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD21 ' HA2' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -74.54 -24.82 59.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.644 -172.787 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -85.21 11.45 9.93 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -114.22 -46.92 2.96 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.82 0.819 . . . . 0.0 111.082 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.43 -24.05 60.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.542 0.686 . . . . 0.0 111.556 178.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.66 74.04 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.421 0.629 . . . . 0.0 111.582 173.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -47.6 60.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.698 0.761 . . . . 0.0 111.242 -172.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.62 -37.26 42.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.999 0.904 . . . . 0.0 110.822 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -27.6 64.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.426 0.631 . . . . 0.0 111.389 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.529 HG22 ' HE2' ' A' ' 30' ' ' LYS . 1.2 mt -66.9 -31.82 55.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.786 0.803 . . . . 0.0 111.106 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -32.34 73.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.08 0.943 . . . . 0.0 110.844 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -71.1 -27.5 63.64 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.163 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -29.78 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.952 0.882 . . . . 0.0 111.031 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HE2' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.29 -36.94 64.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 111.001 172.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -93.02 45.81 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.524 0.678 . . . . 0.0 111.617 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p 179.08 56.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.828 0.823 . . . . 0.0 111.124 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -112.44 27.88 9.26 Favored 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.621 -0.675 . . . . 0.0 112.291 -172.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.064 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.77 -39.13 2.55 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.463 -0.773 . . . . 0.0 111.984 172.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.17 25.44 10.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.172 0.987 . . . . 0.0 110.218 -170.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.064 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -64.72 -63.86 1.01 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.066 0.936 . . . . 0.0 110.83 -172.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -152.14 31.42 0.54 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.952 0.882 . . . . 0.0 110.719 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 121.945 0.878 . . . . 0.0 110.803 -172.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.898 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 121.804 0.811 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.898 ' HD2' HG23 ' A' ' 1' ' ' THR . 71.2 Cg_exo -55.39 -157.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.555 1 C-N-CA 126.469 4.779 . . . . 0.0 114.732 174.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.492 ' O ' HG13 ' A' ' 4' ' ' VAL . 20.2 t0 -44.8 -34.25 2.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.553 0.692 . . . . 0.0 111.325 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 3' ' ' ASP . 1.4 p 48.83 33.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.726 0.774 . . . . 0.0 111.294 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -140.0 -41.96 0.43 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.061 0.934 . . . . 0.0 110.67 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -112.26 32.33 5.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.804 0.812 . . . . 0.0 110.861 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.24 -21.9 25.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.831 0.824 . . . . 0.0 112.041 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -29.69 66.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.915 0.864 . . . . 0.0 110.905 172.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -56.1 -33.0 64.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.891 0.853 . . . . 0.0 110.883 172.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -73.96 -35.05 64.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.68 0.752 . . . . 0.0 110.972 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.799 ' CD1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -98.15 36.93 1.5 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.397 1.094 . . . . 0.0 111.299 -178.635 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 56.24 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.991 0.901 . . . . 0.0 109.942 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HB3' ' H ' ' A' ' 14' ' ' PHE . 2.5 tp10 178.46 -83.55 0.0 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.361 -170.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.799 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 2.0 t80 -40.64 -24.32 0.02 OUTLIER 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.28 -39.28 6.89 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-N 120.293 1.406 . . . . 0.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -52.3 -29.33 22.8 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.792 -0.828 . . . . 0.0 111.716 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 54.2 m -64.99 -34.82 79.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.914 0.864 . . . . 0.0 111.059 -174.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.653 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.3 mt -64.28 -27.87 69.34 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.355 0.598 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.522 0.677 . . . . 0.0 112.093 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -134.86 -56.54 0.82 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.271 1.034 . . . . 0.0 110.919 172.38 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.88 -24.57 59.75 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.693 -0.629 . . . . 0.0 111.935 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -70.24 -21.89 62.95 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.532 -0.73 . . . . 0.0 111.558 174.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -58.71 -43.72 90.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.67 0.748 . . . . 0.0 111.039 172.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.32 -41.33 40.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.879 0.847 . . . . 0.0 111.031 -172.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.847 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.64 -23.62 67.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.266 0.555 . . . . 0.0 111.837 174.191 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.88 -30.96 43.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.597 0.713 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -32.87 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.302 1.049 . . . . 0.0 110.521 172.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -70.8 -29.82 66.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.663 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.78 -33.44 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.063 0.935 . . . . 0.0 110.603 -173.492 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -56.14 -34.15 65.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.731 0.777 . . . . 0.0 111.072 173.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 45.14 1.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.577 0.703 . . . . 0.0 111.548 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 40.92 0.14 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.128 0.966 . . . . 0.0 110.7 172.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.41 29.87 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.13 0.967 . . . . 0.0 111.447 -172.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.6 pt? -65.7 -12.24 51.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.675 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 87.27 26.96 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 122.249 1.023 . . . . 0.0 110.175 -172.502 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 67.42 78.18 0.25 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.932 0.872 . . . . 0.0 110.987 170.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' H ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 53.3 34.41 17.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.625 0.726 . . . . 0.0 111.331 179.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.156 0 CA-C-O 121.969 0.89 . . . . 0.0 110.663 172.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.214 -0.765 0 CA-C-O 121.974 0.892 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.63 -155.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.603 1 C-N-CA 126.587 4.858 . . . . 0.0 114.65 175.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.541 ' OD2' ' HB2' ' A' ' 6' ' ' SER . 24.2 t70 -43.31 99.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.09 0.947 . . . . 0.0 111.64 172.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.742 ' O ' ' HB2' ' A' ' 5' ' ' SER . 9.5 p -90.55 153.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.531 0.681 . . . . 0.0 110.592 172.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.742 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 2.0 m 91.89 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.235 1.014 . . . . 0.0 110.795 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.541 ' HB2' ' OD2' ' A' ' 3' ' ' ASP . 22.8 m -110.48 29.15 7.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.787 0.803 . . . . 0.0 110.839 171.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 3' ' ' ASP . . . -109.67 -24.44 10.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.901 0.858 . . . . 0.0 111.962 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.04 -19.93 56.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.424 0.63 . . . . 0.0 111.757 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -49.01 -40.85 32.45 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.572 -0.705 . . . . 0.0 111.344 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -33.18 73.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.711 0.767 . . . . 0.0 110.85 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 16.92 13.92 Favored 'General case' 0 C--O 1.25 1.125 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -69.21 154.72 41.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.108 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 4.6 tp10 76.11 -68.75 0.18 Allowed 'General case' 0 C--N 1.316 -0.853 0 O-C-N 120.736 -1.227 . . . . 0.0 110.288 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -35.3 -31.64 0.02 OUTLIER 'General case' 0 C--O 1.256 1.399 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 171.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.84 -51.35 3.43 Favored Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.82 -1.175 . . . . 0.0 111.036 -174.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.13 -36.32 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.002 0.906 . . . . 0.0 111.982 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.67 0.748 . . . . 0.0 111.388 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.417 0.627 . . . . 0.0 111.55 176.38 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.4 32.07 2.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.577 0.703 . . . . 0.0 112.052 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -136.75 -48.72 0.63 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.88 0.847 . . . . 0.0 111.119 172.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -81.15 -20.19 41.83 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.373 0.606 . . . . 0.0 111.78 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.679 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -72.58 -23.11 60.92 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.536 -0.727 . . . . 0.0 111.923 172.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.15 86.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.576 -0.703 . . . . 0.0 111.451 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -80.82 -39.62 26.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.998 0.904 . . . . 0.0 110.933 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.45 -21.32 62.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.29 0.567 . . . . 0.0 112.111 172.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.2 mt -70.32 -35.19 61.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.635 0.731 . . . . 0.0 111.4 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -31.44 72.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.144 0.973 . . . . 0.0 110.752 172.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.02 -30.51 66.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.391 0.615 . . . . 0.0 111.81 172.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -33.72 41.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.981 0.896 . . . . 0.0 110.886 -172.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -40.81 80.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.81 0.814 . . . . 0.0 111.168 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.34 38.18 1.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.542 0.687 . . . . 0.0 111.693 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.6 ' OG ' HD22 ' A' ' 34' ' ' LEU . 1.6 t -164.09 -89.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.765 1.269 . . . . 0.0 110.184 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.67 24.64 5.41 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.384 169.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD22 ' OG ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -92.69 -35.84 13.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.009 0.909 . . . . 0.0 110.696 172.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.4 OUTLIER 69.82 11.99 7.88 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 172.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 85.66 -28.61 0.07 Allowed 'General case' 0 C--O 1.246 0.92 0 C-N-CA 124.034 0.934 . . . . 0.0 112.491 172.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -27.93 8.78 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.246 -0.909 . . . . 0.0 110.867 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.196 0 CA-C-O 121.982 0.896 . . . . 0.0 110.983 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.863 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 121.637 0.732 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.863 ' HD2' HG23 ' A' ' 1' ' ' THR . 73.2 Cg_exo -55.16 -157.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.429 4.753 . . . . 0.0 114.818 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' O ' HG13 ' A' ' 4' ' ' VAL . 22.8 t0 -44.21 -39.09 4.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.644 0.735 . . . . 0.0 111.338 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 3' ' ' ASP . 1.4 p 49.97 29.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.832 0.825 . . . . 0.0 111.413 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.63 -45.6 0.45 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.987 0.899 . . . . 0.0 110.793 -174.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 30.04 5.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.588 0.709 . . . . 0.0 110.987 172.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.23 -27.39 18.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.441 1.115 . . . . 0.0 111.455 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -40.39 69.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.406 1.098 . . . . 0.0 111.64 171.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -53.18 -39.91 63.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.526 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -66.48 -35.75 81.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.743 0.782 . . . . 0.0 110.95 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -101.61 23.45 11.18 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.623 -0.673 . . . . 0.0 111.675 171.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -36.57 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 171.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 2.5 t80 -41.38 -27.19 0.08 Allowed 'General case' 0 C--O 1.256 1.403 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.621 ' HA2' HD22 ' A' ' 18' ' ' LEU . . . -89.3 -38.34 6.76 Favored Glycine 0 C--N 1.316 -0.53 0 O-C-N 120.717 -1.24 . . . . 0.0 110.653 -174.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -52.0 -41.61 62.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.9 0.857 . . . . 0.0 110.918 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.711 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 12.5 m -70.04 -35.81 74.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.921 0.867 . . . . 0.0 111.008 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -69.22 -17.58 63.8 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 176.282 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.691 ' HG2' ' NH1' ' A' ' 23' ' ' ARG . 4.7 tt0 -101.78 30.95 4.07 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.533 -0.73 . . . . 0.0 111.996 177.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -137.02 -43.9 0.57 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.991 0.9 . . . . 0.0 110.812 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.711 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.62 -26.19 60.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.68 0.752 . . . . 0.0 111.108 172.42 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.88 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -89.53 24.53 2.25 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 172.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.691 ' NH1' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -112.21 -32.66 6.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.001 0.905 . . . . 0.0 110.724 171.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -91.49 -38.9 12.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.608 0.718 . . . . 0.0 111.184 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -28.28 68.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.334 0.588 . . . . 0.0 111.488 176.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.88 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -68.44 -29.56 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.624 0.726 . . . . 0.0 111.436 179.26 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -66.81 -33.41 75.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.083 0.944 . . . . 0.0 110.882 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -28.04 63.43 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.29 0.567 . . . . 0.0 111.994 172.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -32.32 22.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.865 0.841 . . . . 0.0 111.029 -173.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -63.45 -37.59 87.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.818 0.818 . . . . 0.0 110.989 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.54 48.75 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 111.46 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.14 53.4 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.197 0.999 . . . . 0.0 110.896 172.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.92 26.76 6.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.588 0.708 . . . . 0.0 111.671 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -53.34 -39.59 64.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.807 0.813 . . . . 0.0 111.239 -173.197 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m 48.22 35.09 5.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 -172.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.93 53.04 1.47 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.874 0.845 . . . . 0.0 110.921 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttt 57.77 36.22 26.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.826 0.822 . . . . 0.0 110.955 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.179 0 CA-C-O 121.948 0.88 . . . . 0.0 110.717 178.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.752 ' CG2' HG23 ' A' ' 4' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.918 0.866 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.14 -168.57 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.568 1 C-N-CA 126.363 4.709 . . . . 0.0 114.722 178.67 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.52 101.41 0.24 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.884 0.85 . . . . 0.0 110.948 173.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.752 HG23 ' CG2' ' A' ' 1' ' ' THR . 0.2 OUTLIER -94.15 26.58 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.163 0.506 . . . . 0.0 112.059 -178.002 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.5 -32.92 9.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.926 0.87 . . . . 0.0 110.864 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -128.64 40.0 3.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.828 0.823 . . . . 0.0 110.996 172.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.8 -25.03 24.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.778 0.799 . . . . 0.0 112.072 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 8' ' ' LEU . 3.2 tm? -75.11 -29.97 60.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.15 0.976 . . . . 0.0 110.772 172.345 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -51.22 -36.49 41.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.877 0.846 . . . . 0.0 111.24 172.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -40.42 89.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.942 0.877 . . . . 0.0 110.992 -178.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD11 ' HD2' ' A' ' 14' ' ' PHE . 1.2 mm? -77.58 -19.61 55.36 Favored 'General case' 0 C--O 1.251 1.132 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.032 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -50.87 152.11 2.25 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.138 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.716 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.6 mt-10 73.18 -76.36 0.07 Allowed 'General case' 0 C--N 1.316 -0.888 0 O-C-N 120.618 -1.301 . . . . 0.0 110.722 -167.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.743 ' HD2' HD11 ' A' ' 11' ' ' LEU . 88.5 t80 -46.87 -12.23 0.02 OUTLIER 'General case' 0 C--O 1.259 1.597 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.26 3.18 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 120.763 1.619 . . . . 0.0 110.977 172.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -51.76 -32.37 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.97 -0.724 . . . . 0.0 111.61 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.666 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 53.6 m -61.87 -39.8 93.14 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.725 0.774 . . . . 0.0 111.13 -173.253 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.84 -30.67 71.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.664 0.745 . . . . 0.0 111.327 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -94.59 29.52 2.27 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.745 -0.597 . . . . 0.0 112.161 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -134.73 -38.95 0.8 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 111.642 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.666 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -81.43 -26.03 35.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.455 0.645 . . . . 0.0 111.396 174.732 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -84.16 -33.14 24.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.007 0.908 . . . . 0.0 111.07 172.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -28.47 66.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.294 0.569 . . . . 0.0 111.457 175.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -83.73 -46.09 12.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.702 0.763 . . . . 0.0 111.883 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.23 -21.14 61.46 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.858 -0.526 . . . . 0.0 112.166 172.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.598 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -70.2 -34.79 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.74 0.781 . . . . 0.0 111.148 172.409 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -63.92 -29.38 70.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.155 0.978 . . . . 0.0 110.701 171.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -27.88 56.62 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.355 0.598 . . . . 0.0 111.917 172.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -67.45 -33.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 122.591 1.186 . . . . 0.0 110.016 -176.595 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -65.94 -30.94 71.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.164 0.983 . . . . 0.0 110.744 172.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 51.65 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.462 0.649 . . . . 0.0 111.603 172.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -171.39 41.19 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.459 0.647 . . . . 0.0 111.572 178.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.37 20.46 5.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.656 0.741 . . . . 0.0 112.939 -173.162 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.705 HD21 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.81 -83.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 123.159 1.457 . . . . 0.0 112.371 171.06 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.839 ' HB2' ' HB3' ' A' ' 38' ' ' MET . 1.2 m 83.01 29.87 0.09 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.949 1.357 . . . . 0.0 109.456 -169.164 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' A' ' 34' ' ' LEU . . . 48.86 65.16 1.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 122.045 0.926 . . . . 0.0 110.922 -177.365 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.54 32.24 16.59 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.597 0.713 . . . . 0.0 111.467 174.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.839 ' HB3' ' HB2' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 121.963 0.887 . . . . 0.0 110.728 172.574 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.822 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 121.543 0.687 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.822 ' HD2' HG23 ' A' ' 1' ' ' THR . 77.5 Cg_exo -56.27 -156.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.583 1 C-N-CA 126.273 4.648 . . . . 0.0 114.487 174.564 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.35 93.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.989 0.9 . . . . 0.0 110.861 172.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.979 ' HA ' ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -76.74 1.91 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.952 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.791 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m -62.78 -46.54 87.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.23 1.014 . . . . 0.0 110.385 171.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 37.72 1.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.094 0.95 . . . . 0.0 110.416 171.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.979 ' HB1' ' HA ' ' A' ' 4' ' ' VAL . . . -81.53 139.36 35.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.497 1.142 . . . . 0.0 110.672 172.379 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.7 OUTLIER 38.56 30.9 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.929 1.823 . . . . 0.0 112.842 -171.637 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -83.93 -41.46 17.35 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.276 173.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -46.58 -46.49 19.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.537 0.684 . . . . 0.0 111.541 177.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.928 HD21 ' HD2' ' A' ' 14' ' ' PHE . 78.1 mt -70.86 -96.34 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.952 -0.468 . . . . 0.0 110.612 178.513 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 26.34 58.74 0.07 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.301 1.04 . . . . 0.0 113.04 -171.41 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.0 tp10 168.18 -80.39 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.819 -1.176 . . . . 0.0 110.17 -170.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.928 ' HD2' HD21 ' A' ' 11' ' ' LEU . 44.3 t80 -47.22 -12.07 0.03 OUTLIER 'General case' 0 C--O 1.26 1.617 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 169.091 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.897 ' HA2' HD21 ' A' ' 18' ' ' LEU . . . -88.42 -44.15 5.35 Favored Glycine 0 C--N 1.315 -0.598 0 CA-C-N 120.689 1.586 . . . . 0.0 111.263 172.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -40.94 34.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.858 0.837 . . . . 0.0 111.43 179.05 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.458 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 86.6 m -71.03 -31.75 68.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.099 -173.097 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.897 HD21 ' HA2' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -69.75 -18.32 63.5 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.193 0.521 . . . . 0.0 112.065 176.449 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.34 30.39 1.71 Allowed 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.529 -0.732 . . . . 0.0 112.102 172.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -128.37 -39.15 1.71 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.014 0.911 . . . . 0.0 110.76 171.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.761 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -80.47 -27.86 37.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.518 0.675 . . . . 0.0 111.485 172.665 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -63.62 -26.85 68.87 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 121.841 -0.537 . . . . 0.0 111.88 174.423 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -51.01 61.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.649 -0.657 . . . . 0.0 111.343 -175.339 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.94 -40.56 60.74 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.995 0.902 . . . . 0.0 110.88 -176.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.53 -26.54 63.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 0.0 111.8 172.679 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.89 -28.83 38.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 0.0 111.104 -175.371 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -31.51 71.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 111.009 172.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -28.64 61.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.365 0.602 . . . . 0.0 112.045 174.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -37.16 24.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.925 0.869 . . . . 0.0 111.024 -172.448 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -57.96 -37.78 74.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.24 1.019 . . . . 0.0 110.85 -176.372 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.14 39.71 1.05 Allowed 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.2 -172.262 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 p 177.02 46.85 0.0 OUTLIER 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.386 0.612 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.87 26.75 5.23 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 178.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.8 HD11 ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -128.47 -41.45 1.54 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.527 -0.733 . . . . 0.0 112.098 172.174 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m 57.5 28.81 16.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.987 1.375 . . . . 0.0 109.371 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.8 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -92.05 19.37 6.85 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.242 -171.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.53 27.3 0.61 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.748 0.785 . . . . 0.0 111.102 -171.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.468 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.156 0 CA-C-O 121.967 0.889 . . . . 0.0 111.087 -172.566 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 121.975 0.893 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 -165.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.561 1 C-N-CA 126.421 4.747 . . . . 0.0 114.774 177.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -52.86 99.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.894 0.854 . . . . 0.0 111.018 174.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -22.42 24.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.284 179.324 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 110.894 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -112.1 35.39 3.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.651 0.739 . . . . 0.0 111.336 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.92 -22.03 18.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.539 0.685 . . . . 0.0 112.373 172.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -22.71 43.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 111.748 173.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -49.59 -35.98 22.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.574 0.702 . . . . 0.0 111.389 172.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.04 -34.94 76.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.885 0.85 . . . . 0.0 110.96 -175.066 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' N ' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -83.65 5.94 22.68 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.297 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -89.06 58.73 4.67 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.254 -0.904 . . . . 0.0 110.846 172.023 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.1 tp10 172.57 -82.06 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -171.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -45.19 -12.95 0.02 OUTLIER 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 168.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.26 -45.2 4.47 Favored Glycine 0 N--CA 1.465 0.601 0 CA-C-N 120.614 1.552 . . . . 0.0 111.757 172.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -49.59 -33.47 15.2 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.777 -0.837 . . . . 0.0 112.04 175.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.532 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 27.6 m -58.8 -36.01 73.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.631 0.729 . . . . 0.0 111.556 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.58 -41.55 96.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.895 0.855 . . . . 0.0 111.36 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.15 31.81 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.465 0.65 . . . . 0.0 112.273 -172.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.59 -51.49 0.22 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.124 0.964 . . . . 0.0 110.871 172.29 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.23 -35.07 66.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.646 0.736 . . . . 0.0 111.197 172.628 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' ' CD ' ' A' ' 21' ' ' LYS . . . -73.17 -31.69 64.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.807 0.813 . . . . 0.0 111.082 -172.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -61.62 -38.01 86.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.706 0.765 . . . . 0.0 111.096 178.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.36 -41.32 40.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.886 0.851 . . . . 0.0 110.976 -173.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD11 HH21 ' A' ' 28' ' ' ARG . 0.1 OUTLIER -66.1 -24.1 66.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.118 174.886 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.4 mt -67.37 -26.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.639 0.733 . . . . 0.0 111.048 -177.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -43.0 73.44 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.348 1.07 . . . . 0.0 110.272 171.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.563 HH21 HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.48 -31.87 56.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.546 0.689 . . . . 0.0 111.881 171.774 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -33.99 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.897 0.856 . . . . 0.0 110.829 -172.091 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.677 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.34 -40.79 78.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.997 0.903 . . . . 0.0 110.991 179.329 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.677 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.1 tt0 -92.96 36.74 1.03 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.21 0.528 . . . . 0.0 111.911 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -167.77 27.88 0.03 OUTLIER 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.746 -0.596 . . . . 0.0 112.143 -172.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -135.24 19.63 3.41 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -176.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 34' ' ' LEU . 1.9 pt? -74.14 -42.61 59.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -156.44 27.32 0.34 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.216 1.96 . . . . 0.0 108.749 172.447 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.69 -69.96 0.14 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.011 -167.199 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.53 27.75 1.51 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.939 0.876 . . . . 0.0 110.638 172.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.404 ' HB2' ' HE1' ' A' ' 38' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.183 0 CA-C-O 121.965 0.888 . . . . 0.0 110.756 -172.443 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 121.935 0.874 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.47 -168.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.516 1 C-N-CA 126.401 4.734 . . . . 0.0 114.817 177.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.829 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 14.2 t70 -59.57 95.76 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.897 0.856 . . . . 0.0 110.985 173.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.0 p -96.39 -27.75 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.529 0.681 . . . . 0.0 111.442 -172.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -59.28 -42.73 91.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.771 0.796 . . . . 0.0 110.959 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -114.23 36.4 3.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.738 0.78 . . . . 0.0 111.278 177.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.829 ' HB1' ' O ' ' A' ' 3' ' ' ASP . . . -94.97 -24.46 16.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.7 0.762 . . . . 0.0 112.086 172.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.81 -34.95 76.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.808 0.813 . . . . 0.0 110.914 172.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -53.27 -38.09 62.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -176.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 2.5 mmtt -54.02 -36.8 63.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 110.925 -173.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -86.19 -90.12 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 110.573 172.209 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.16 -86.62 0.02 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.962 -0.461 . . . . 0.0 111.048 -173.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' HB3' ' H ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -40.08 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.496 -0.753 . . . . 0.0 112.811 172.057 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' H ' ' HB3' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -41.23 -24.74 0.03 OUTLIER 'General case' 0 C--O 1.257 1.47 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -175.771 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.02 -43.16 6.81 Favored Glycine 0 C--N 1.317 -0.525 0 CA-C-N 119.987 1.267 . . . . 0.0 110.888 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -49.38 -34.02 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.732 0.777 . . . . 0.0 111.288 174.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -64.13 -40.05 95.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.766 0.793 . . . . 0.0 111.023 -178.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.03 -34.73 72.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.678 0.752 . . . . 0.0 111.154 174.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.7 31.12 2.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.435 0.636 . . . . 0.0 112.039 -172.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -139.91 -46.98 0.44 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 110.943 172.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.78 73.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.552 0.691 . . . . 0.0 111.372 174.776 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.69 62.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.376 0.608 . . . . 0.0 111.501 -175.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.39 90.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.637 0.732 . . . . 0.0 111.236 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.48 -40.6 70.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.033 0.921 . . . . 0.0 111.022 -174.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -27.79 68.96 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.259 0.552 . . . . 0.0 111.81 173.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.9 -27.14 29.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.683 0.754 . . . . 0.0 111.28 -173.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.766 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.4 t -71.46 -34.53 70.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 110.989 172.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HD3' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.29 -26.02 65.44 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.265 0.555 . . . . 0.0 111.844 172.402 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.553 HD12 ' HD3' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -83.4 -32.06 8.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.61 0.719 . . . . 0.0 111.209 -174.281 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.766 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -62.49 -36.05 81.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.948 0.88 . . . . 0.0 110.962 -178.214 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.654 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -93.97 33.98 1.28 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.855 -0.528 . . . . 0.0 112.38 -172.172 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -161.05 25.23 0.14 Allowed 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.742 -0.599 . . . . 0.0 112.371 -175.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -130.29 30.14 4.79 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.566 -0.709 . . . . 0.0 112.201 -173.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.087 HD11 ' HB1' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -62.91 -32.82 74.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.525 0.679 . . . . 0.0 111.36 175.862 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.55 30.31 12.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.469 0.652 . . . . 0.0 111.335 -172.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.087 ' HB1' HD11 ' A' ' 34' ' ' LEU . . . -56.61 -64.44 0.87 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.968 0.89 . . . . 0.0 110.812 176.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 38' ' ' MET . 12.0 pttt -111.81 -39.79 4.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.85 0.833 . . . . 0.0 110.934 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.503 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.187 0 CA-C-O 122.04 0.924 . . . . 0.0 110.954 -173.436 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.767 0 CA-C-O 121.987 0.899 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -52.93 -168.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 C-N-CA 126.498 4.799 . . . . 0.0 114.792 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.51 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -49.76 100.79 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.87 0.843 . . . . 0.0 111.018 173.878 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.457 HG11 ' O ' ' A' ' 4' ' ' VAL . 1.4 p -101.72 35.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.717 0.77 . . . . 0.0 111.175 177.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -30.32 9.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.897 0.856 . . . . 0.0 111.005 173.713 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -134.37 41.47 2.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.844 . . . . 0.0 111.011 172.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 3' ' ' ASP . . . -99.02 -18.86 17.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 112.331 174.33 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -69.76 -34.56 73.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.835 0.826 . . . . 0.0 110.949 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.4 -37.94 27.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.924 0.868 . . . . 0.0 110.921 174.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -55.9 -37.24 68.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.717 0.77 . . . . 0.0 111.036 -173.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.623 HD21 ' HD2' ' A' ' 14' ' ' PHE . 46.7 mt -79.28 -78.19 0.16 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 110.653 173.506 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.91 -90.7 0.01 OUTLIER 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.6 0.76 . . . . 0.0 112.001 -172.245 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -37.97 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.357 -0.84 . . . . 0.0 113.089 172.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.623 ' HD2' HD21 ' A' ' 11' ' ' LEU . 2.5 t80 -42.08 -25.24 0.06 Allowed 'General case' 0 C--O 1.258 1.511 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -173.653 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.25 -40.0 7.12 Favored Glycine 0 C--N 1.316 -0.541 0 CA-C-N 120.077 1.308 . . . . 0.0 110.443 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.87 -29.46 41.59 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 121.762 -0.846 . . . . 0.0 111.752 171.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.528 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 54.3 m -55.82 -27.97 53.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.505 0.669 . . . . 0.0 111.661 -174.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.56 -42.66 51.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.72 0.771 . . . . 0.0 111.301 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.42 31.35 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.577 0.703 . . . . 0.0 112.098 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 5.0 t70 -138.47 -44.05 0.5 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.202 1.001 . . . . 0.0 110.657 172.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HD2' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.03 -33.15 65.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.632 0.729 . . . . 0.0 111.439 176.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' O ' HD11 ' A' ' 26' ' ' ILE . . . -70.53 -28.58 65.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.153 0.978 . . . . 0.0 110.928 176.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 1.7 mmp_? -49.73 -62.54 1.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.904 0.859 . . . . 0.0 111.732 172.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -68.46 -42.99 77.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.721 0.772 . . . . 0.0 111.369 -172.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -25.08 62.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.229 0.538 . . . . 0.0 111.858 176.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.55 -31.49 32.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.662 0.744 . . . . 0.0 111.5 -177.115 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.802 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -69.29 -38.54 78.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.921 174.303 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -64.54 -31.32 72.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.394 0.616 . . . . 0.0 111.742 172.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -32.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.789 0.804 . . . . 0.0 111.145 -172.347 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.802 ' HD3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -58.84 -34.75 71.91 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.762 0.792 . . . . 0.0 111.143 177.299 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.593 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -93.77 43.66 1.11 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.36 0.6 . . . . 0.0 111.684 -173.262 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.07 49.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.718 0.77 . . . . 0.0 111.349 177.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 30.99 5.25 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 121.763 -0.586 . . . . 0.0 112.024 -173.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.088 HD11 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -83.02 -38.14 23.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.734 0.778 . . . . 0.0 111.154 173.039 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p 57.04 24.22 9.33 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.756 0.789 . . . . 0.0 110.768 -171.391 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 1.088 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -89.01 -71.06 0.62 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.855 0.836 . . . . 0.0 110.891 -172.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.65 34.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.824 0.821 . . . . 0.0 111.029 -178.465 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.443 ' HB3' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.124 0 CA-C-O 121.991 0.9 . . . . 0.0 110.685 -176.188 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.408 HG23 ' HB ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 121.984 0.897 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.84 -164.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.569 1 C-N-CA 126.447 4.765 . . . . 0.0 114.776 175.697 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.03 94.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.876 0.846 . . . . 0.0 111.003 175.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.427 HG11 ' O ' ' A' ' 4' ' ' VAL . 0.9 OUTLIER -110.88 30.42 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.576 0.703 . . . . 0.0 111.276 -176.895 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -106.0 -51.01 3.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.802 0.811 . . . . 0.0 110.884 -179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -106.65 33.27 3.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.567 0.698 . . . . 0.0 111.493 172.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.5 -25.09 7.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.241 172.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.01 -31.06 68.54 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.814 0.816 . . . . 0.0 110.991 172.603 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.46 -48.28 47.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.663 0.744 . . . . 0.0 111.297 176.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -54.51 -29.1 49.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.847 0.832 . . . . 0.0 111.072 -172.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -90.2 -87.45 0.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.758 0.79 . . . . 0.0 110.803 172.467 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.45 -86.98 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 -173.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.73 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.627 -0.671 . . . . 0.0 112.192 172.017 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -42.47 -21.89 0.02 OUTLIER 'General case' 0 C--O 1.257 1.462 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -175.192 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.03 -46.84 6.45 Favored Glycine 0 C--N 1.317 -0.513 0 CA-C-N 120.22 1.373 . . . . 0.0 110.823 178.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -48.03 -43.56 30.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.915 0.864 . . . . 0.0 111.337 173.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -55.64 -40.2 71.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.712 . . . . 0.0 111.359 -172.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 1.5 pp -79.31 -19.96 49.09 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.22 0.533 . . . . 0.0 111.756 -172.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.79 20.76 4.51 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.547 -0.72 . . . . 0.0 112.513 172.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.73 -41.3 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.466 -0.771 . . . . 0.0 111.081 172.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -31.17 20.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.838 0.828 . . . . 0.0 111.14 -176.145 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.863 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -66.62 -10.48 46.27 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 174.333 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -36.05 62.35 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.379 -0.826 . . . . 0.0 111.443 -178.391 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.2 -40.58 16.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.998 0.904 . . . . 0.0 110.987 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.863 HD21 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.05 -24.34 67.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 172.877 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -63.43 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.633 0.73 . . . . 0.0 111.473 -179.817 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -32.76 74.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.086 0.946 . . . . 0.0 110.904 174.21 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -75.46 -23.94 56.93 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.431 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -33.28 11.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.341 -0.849 . . . . 0.0 111.268 -172.155 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HZ1' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -62.93 -33.92 76.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.673 0.749 . . . . 0.0 111.198 -179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -93.24 32.99 1.24 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.309 0.576 . . . . 0.0 112.203 -172.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.9 p -170.08 33.66 0.02 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.579 0.704 . . . . 0.0 111.788 172.523 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.85 26.21 3.97 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 121.714 -0.616 . . . . 0.0 112.283 174.174 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.809 HD11 ' HB2' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -120.4 -26.86 5.31 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.559 -0.713 . . . . 0.0 112.561 179.72 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.07 27.2 2.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.765 1.269 . . . . 0.0 109.89 -171.127 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.809 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -88.73 -70.17 0.66 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.978 0.895 . . . . 0.0 111.019 -171.833 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -121.17 33.62 5.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.926 0.869 . . . . 0.0 110.854 -178.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.116 0 CA-C-O 122.022 0.915 . . . . 0.0 111.032 -178.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 1.012 ' CG2' HG13 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 121.83 0.824 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -57.35 -145.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.728 1 C-N-CA 126.576 4.85 . . . . 0.0 114.195 174.496 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -88.46 48.52 1.65 Allowed 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.096 -1.002 . . . . 0.0 110.826 170.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.012 HG13 ' CG2' ' A' ' 1' ' ' THR . 0.4 OUTLIER -112.49 -17.84 8.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.764 0 O-C-N 121.703 -0.623 . . . . 0.0 111.884 -172.782 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -46.78 88.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.316 1.055 . . . . 0.0 110.295 171.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -99.47 41.57 1.15 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.379 1.085 . . . . 0.0 110.277 171.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.831 ' HB1' ' HA ' ' A' ' 4' ' ' VAL . . . -74.06 137.69 43.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.483 1.135 . . . . 0.0 110.425 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER 46.27 24.38 0.27 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.365 1.555 . . . . 0.0 113.553 -171.078 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.23 -46.33 8.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.145 0.974 . . . . 0.0 111.056 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -36.88 82.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.744 0.783 . . . . 0.0 110.938 172.814 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -99.74 41.32 1.16 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.808 1.289 . . . . 0.0 110.779 -177.658 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 56.16 3.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.969 0.89 . . . . 0.0 110.308 171.448 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.98 -84.84 0.0 OUTLIER 'General case' 0 C--O 1.244 0.805 0 O-C-N 121.801 -0.562 . . . . 0.0 110.317 -171.357 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -39.1 -23.13 0.01 OUTLIER 'General case' 0 C--O 1.257 1.499 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 168.656 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.32 -44.99 6.36 Favored Glycine 0 C--N 1.317 -0.513 0 CA-C-N 119.975 1.261 . . . . 0.0 111.156 178.229 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -47.96 -38.96 17.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.945 0.878 . . . . 0.0 111.328 175.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -70.16 -49.77 47.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.75 0.786 . . . . 0.0 110.878 -174.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.28 -36.68 71.33 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.575 0.702 . . . . 0.0 110.689 -175.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -73.0 -42.46 63.24 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.691 0.758 . . . . 0.0 111.325 -172.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.86 -49.37 65.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.793 0.806 . . . . 0.0 111.093 -172.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -17.55 49.59 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.231 0.538 . . . . 0.0 111.891 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HA ' HD21 ' A' ' 25' ' ' LEU . . . -85.22 -14.37 47.01 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.476 -0.765 . . . . 0.0 112.468 172.25 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -49.71 56.86 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.413 -0.805 . . . . 0.0 111.412 179.157 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -70.13 -40.59 74.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.983 0.897 . . . . 0.0 110.82 -177.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.695 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.47 -24.14 67.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.218 0.533 . . . . 0.0 111.812 172.71 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.601 ' HA ' HD11 ' A' ' 29' ' ' ILE . 1.8 mt -73.81 -34.51 40.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.57 0.7 . . . . 0.0 111.256 177.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.554 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 29.6 t -66.68 -26.81 67.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.778 0.799 . . . . 0.0 110.623 172.246 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -76.7 -29.02 56.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.439 0.637 . . . . 0.0 111.491 171.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 25' ' ' LEU . 1.3 mt -70.53 -36.88 67.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.003 0.906 . . . . 0.0 110.724 -173.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.606 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -61.77 -39.2 90.82 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 110.966 -178.175 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.606 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.4 tt0 -91.78 44.84 1.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.603 179.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -173.02 54.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.927 0.87 . . . . 0.0 111.074 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -114.85 24.79 11.46 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.309 0.576 . . . . 0.0 111.846 -172.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.911 ' HB2' ' HB3' ' A' ' 38' ' ' MET . 0.5 OUTLIER -135.15 -59.42 0.78 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.797 1.284 . . . . 0.0 111.368 -176.169 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 58.0 m 36.0 39.25 0.07 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.279 1.032 . . . . 0.0 112.431 -169.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 92.22 -33.54 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.813 1.245 . . . . 0.0 110.729 172.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -13.82 14.92 Favored 'General case' 0 C--O 1.243 0.745 0 O-C-N 121.515 -0.741 . . . . 0.0 111.124 170.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.911 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.949 0.881 . . . . 0.0 110.648 171.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.898 HG22 HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.217 -0.617 0 CA-C-O 121.53 0.681 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.838 ' HD2' HG23 ' A' ' 1' ' ' THR . 61.4 Cg_exo -57.31 -150.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.53 3.65 1 C-N-CA 126.183 4.589 . . . . 0.0 114.237 174.252 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.11 -14.71 0.16 Allowed 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.359 -0.838 . . . . 0.0 112.689 171.581 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.898 HG12 HG22 ' A' ' 1' ' ' THR . 0.9 OUTLIER -29.59 104.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 122.602 1.191 . . . . 0.0 112.462 171.34 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.555 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER 157.47 -47.55 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.643 1.211 . . . . 0.0 109.842 -171.196 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -147.59 41.79 1.05 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.288 1.042 . . . . 0.0 110.481 172.19 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.1 -26.32 19.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.97 0.891 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' O ' HD22 ' A' ' 8' ' ' LEU . 3.6 tt -68.06 -28.98 67.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.539 0.685 . . . . 0.0 111.109 171.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.71 -42.58 68.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.598 0.713 . . . . 0.0 111.272 -178.282 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HB3' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.01 -43.14 95.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.764 0.792 . . . . 0.0 110.867 178.097 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 10' ' ' LYS . 1.4 mt -106.5 22.93 15.02 Favored 'General case' 0 C--O 1.25 1.091 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.459 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -64.26 154.55 34.74 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 169.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.601 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 5.4 mt-10 75.58 -71.99 0.11 Allowed 'General case' 0 C--N 1.316 -0.862 0 O-C-N 120.662 -1.273 . . . . 0.0 110.247 -167.348 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -45.9 -15.26 0.03 OUTLIER 'General case' 0 C--O 1.259 1.601 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.21 -36.57 5.4 Favored Glycine 0 C--N 1.315 -0.604 0 CA-C-N 120.82 1.645 . . . . 0.0 110.743 176.414 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -35.33 38.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.941 0.877 . . . . 0.0 111.444 172.342 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.764 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 59.9 m -63.36 -35.91 81.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.825 0.822 . . . . 0.0 111.314 -178.454 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.783 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 3.1 mt -81.74 -11.32 59.08 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 176.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.07 28.79 8.05 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 172.528 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.74 -49.97 0.35 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.538 0.685 . . . . 0.0 110.541 171.372 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -72.69 -24.19 60.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.013 0.911 . . . . 0.0 110.163 170.869 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.783 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -92.19 29.17 1.7 Allowed 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.516 0.674 . . . . 0.0 111.067 170.455 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 -16.18 10.92 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 0.0 112.141 174.052 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -96.16 -33.88 11.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.939 0.876 . . . . 0.0 110.035 170.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.5 -32.32 73.9 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.379 1.561 . . . . 0.0 107.697 169.242 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.758 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -83.27 162.12 3.24 Favored 'Isoleucine or valine' 0 C--O 1.252 1.191 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 164.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.679 ' HB3' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 80.7 -45.36 0.25 Allowed 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.64 -1.288 . . . . 0.0 110.058 -165.63 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG3' HH11 ' A' ' 28' ' ' ARG . 0.0 OUTLIER -80.78 -32.35 35.47 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.266 -0.896 . . . . 0.0 111.093 170.677 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.59 -43.09 77.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.761 0.791 . . . . 0.0 110.496 176.375 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -34.38 13.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.106 0.955 . . . . 0.0 111.131 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.3 45.11 1.19 Allowed 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.812 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.88 52.69 0.0 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.567 0.699 . . . . 0.0 111.751 176.547 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.78 23.74 5.38 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 121.521 -0.737 . . . . 0.0 112.482 -179.19 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' H ' HD22 ' A' ' 34' ' ' LEU . 1.6 pt? -61.83 -40.26 94.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.761 1.267 . . . . 0.0 112.033 -172.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 4.7 p -156.18 25.84 0.36 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 123.635 1.683 . . . . 0.0 108.943 172.076 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.4 -63.2 1.2 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.545 -167.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -99.85 -33.16 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.676 0.751 . . . . 0.0 111.077 172.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.015 0.912 . . . . 0.0 110.761 -172.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.238 0.463 0 CA-C-O 122.388 1.089 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.98 -41.04 0.39 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.552 0.692 . . . . 0.0 109.998 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -91.2 -30.9 16.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.379 1.085 . . . . 0.0 110.103 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.696 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -67.04 -26.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.631 0.729 . . . . 0.0 111.505 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.621 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.1 t -75.37 -30.14 60.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.884 0.85 . . . . 0.0 111.025 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -72.02 -21.45 61.54 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.727 -0.608 . . . . 0.0 111.91 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -33.88 7.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.945 0.879 . . . . 0.0 110.87 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.82 -32.48 73.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.732 0.777 . . . . 0.0 111.099 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 35.95 1.02 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.515 0.674 . . . . 0.0 111.84 -174.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 C--N 1.32 -0.684 0 CA-C-O 121.65 0.738 . . . . 0.0 111.259 -172.833 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.246 0.916 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -43.79 67.01 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.331 -0.856 . . . . 0.0 111.347 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.64 -38.97 53.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.03 0.919 . . . . 0.0 110.9 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.58 -26.93 68.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.289 0.566 . . . . 0.0 111.555 172.608 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.432 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 1.8 mt -65.73 -27.22 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.677 0.751 . . . . 0.0 111.172 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.592 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -65.16 -33.32 75.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.925 0.869 . . . . 0.0 110.899 172.527 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -73.18 -28.28 62.12 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.239 0.542 . . . . 0.0 111.895 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 25' ' ' LEU . 1.1 mp -72.25 -35.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.923 0.868 . . . . 0.0 110.759 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -61.59 -29.54 70.1 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.365 0.602 . . . . 0.0 111.802 -176.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.44 30.03 1.19 Allowed 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.554 -0.716 . . . . 0.0 112.922 -171.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.478 0.656 . . . . 0.0 111.977 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -46.02 69.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.663 0.744 . . . . 0.0 111.315 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.56 -41.8 65.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.865 0.84 . . . . 0.0 111.03 -172.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -24.98 66.25 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.153 0.501 . . . . 0.0 111.92 175.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.85 -29.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -32.41 72.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.091 0.948 . . . . 0.0 110.968 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.86 -30.48 65.47 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 111.895 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -29.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.785 0.802 . . . . 0.0 111.087 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.752 0.787 . . . . 0.0 111.006 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 42.24 1.09 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.57 0.7 . . . . 0.0 111.7 -175.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 121.632 0.73 . . . . 0.0 111.442 172.693 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.619 0 CA-C-O 121.421 0.629 . . . . 0.0 111.636 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.37 89.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.696 0.76 . . . . 0.0 111.268 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.47 -40.92 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.702 0.763 . . . . 0.0 111.275 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.43 -21.96 66.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.344 0.592 . . . . 0.0 111.736 176.373 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -68.09 -33.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.5 0.667 . . . . 0.0 111.46 173.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -33.94 77.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.175 0.988 . . . . 0.0 110.675 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -29.13 65.92 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.805 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.35 -33.99 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.71 -172.662 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.832 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.27 -47.0 82.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.831 0.824 . . . . 0.0 110.997 174.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.832 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.7 tt0 -93.74 45.64 1.16 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.592 0.71 . . . . 0.0 111.516 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.704 0 CA-C-O 122.003 0.906 . . . . 0.0 111.055 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.242 0.697 0 CA-C-O 121.189 0.518 . . . . 0.0 111.941 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -70.99 -40.58 71.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.0 111.171 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.31 -38.95 49.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.1 0.952 . . . . 0.0 110.976 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -26.5 68.22 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.528 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 22' ' ' ALA . 3.2 mt -66.09 -26.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 121.592 -0.693 . . . . 0.0 111.386 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -67.28 -33.81 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.468 1.127 . . . . 0.0 110.036 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -65.12 -31.91 73.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.448 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -43.28 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.004 0.907 . . . . 0.0 110.757 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.47 94.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.803 0.811 . . . . 0.0 111.073 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.79 47.85 1.25 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.558 -175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 121.741 0.782 . . . . 0.0 111.106 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.748 0.785 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -47.62 85.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.732 0.777 . . . . 0.0 111.254 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -78.12 -40.1 39.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.862 0.839 . . . . 0.0 111.23 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -23.15 67.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.294 0.568 . . . . 0.0 111.807 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -66.46 -29.47 46.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.756 0.788 . . . . 0.0 111.211 175.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -43.26 77.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.92 0.867 . . . . 0.0 110.949 172.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -60.37 -28.92 68.59 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.372 0.606 . . . . 0.0 112.027 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -36.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.848 0.832 . . . . 0.0 111.091 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HB2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.54 -32.62 74.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.403 -179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -92.81 43.4 1.12 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.599 0.714 . . . . 0.0 111.931 -172.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.32 -0.696 0 CA-C-O 121.503 0.668 . . . . 0.0 111.628 172.362 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.242 0.7 0 CA-C-O 121.279 0.561 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -58.03 4.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.661 0.743 . . . . 0.0 111.306 -172.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.71 -39.45 93.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.349 1.071 . . . . 0.0 110.915 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -74.08 -22.13 59.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.546 0.689 . . . . 0.0 111.337 -174.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.26 -32.94 56.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.762 0.791 . . . . 0.0 111.039 172.18 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.47 80.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.102 0.953 . . . . 0.0 110.639 172.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -65.72 -22.82 66.64 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.377 172.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.09 7.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.066 0.936 . . . . 0.0 110.688 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.08 -39.49 63.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.989 0.9 . . . . 0.0 110.822 172.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.51 46.79 1.26 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.638 0.732 . . . . 0.0 111.529 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 111.022 173.547 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.101 0.477 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' CD ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -82.31 -23.29 35.23 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.694 -0.628 . . . . 0.0 111.957 -176.42 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -85.38 -40.47 16.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.93 0.871 . . . . 0.0 111.006 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -22.69 66.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.325 0.584 . . . . 0.0 111.882 172.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -26.89 40.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.599 0.714 . . . . 0.0 111.397 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -71.22 -40.32 71.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.907 0.86 . . . . 0.0 110.836 172.474 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -27.1 68.16 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 111.778 172.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -34.54 11.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.833 0.825 . . . . 0.0 110.925 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.901 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.45 -30.82 71.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.619 0.723 . . . . 0.0 111.286 -177.054 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.901 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 1.9 tt0 -92.53 47.64 1.32 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.363 0.602 . . . . 0.0 111.658 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.684 0.754 . . . . 0.0 111.376 -178.538 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.245 0.845 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -41.42 98.12 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 111.138 172.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -82.77 -42.25 18.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.05 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.67 66.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.348 0.594 . . . . 0.0 111.79 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -64.45 -30.09 49.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.776 0.798 . . . . 0.0 111.085 179.036 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.61 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.69 -35.26 79.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.916 173.536 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -73.63 -27.89 61.51 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.291 0.567 . . . . 0.0 112.046 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.69 -31.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.652 0.739 . . . . 0.0 111.266 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -60.18 -36.51 77.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.926 0.869 . . . . 0.0 111.027 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.51 42.35 1.1 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.317 0.579 . . . . 0.0 112.036 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 111.703 172.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 121.881 0.848 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -88.37 132.13 34.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.156 170.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' ARG . 5.6 mt-10 89.37 -30.36 0.03 OUTLIER 'General case' 0 C--O 1.245 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 111.102 -172.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -87.92 -21.74 24.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.491 0.662 . . . . 0.0 110.883 170.638 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -65.04 -28.67 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.613 0.721 . . . . 0.0 111.323 174.001 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.81 78.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.0 0.905 . . . . 0.0 111.124 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.71 -30.3 71.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.444 0.64 . . . . 0.0 111.961 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -33.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.799 0.809 . . . . 0.0 111.077 -172.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -32.91 69.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.651 0.738 . . . . 0.0 111.25 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.11 40.76 1.07 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.394 0.616 . . . . 0.0 111.668 -174.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 121.774 0.797 . . . . 0.0 111.189 -178.138 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.61 0 CA-C-O 121.524 0.678 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HD2' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.31 -26.3 46.88 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.699 -0.626 . . . . 0.0 111.68 -172.172 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG3' ' HD2' ' A' ' 23' ' ' ARG . 15.3 mt-10 -79.88 -43.69 21.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.117 0.961 . . . . 0.0 110.565 171.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -22.19 66.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.322 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mt -69.49 -28.14 36.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.557 0.694 . . . . 0.0 111.625 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 t -75.72 -30.29 59.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.943 0.878 . . . . 0.0 110.801 172.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -68.99 -24.96 64.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.358 0.599 . . . . 0.0 111.56 171.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -35.08 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.037 0.922 . . . . 0.0 110.816 -176.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.82 -38.46 79.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.897 0.856 . . . . 0.0 110.959 179.331 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -90.92 45.99 1.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.638 0.732 . . . . 0.0 111.461 176.105 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.807 0.813 . . . . 0.0 111.04 -174.886 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.243 0.741 0 CA-C-O 121.184 0.516 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -49.74 65.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.945 0.879 . . . . 0.0 111.221 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.84 -39.34 35.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.023 0.916 . . . . 0.0 110.917 -175.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.285 0.564 . . . . 0.0 111.555 172.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.3 mt -68.2 -31.11 50.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.789 0.804 . . . . 0.0 111.181 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -60.35 -35.66 76.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.906 0.86 . . . . 0.0 110.919 172.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -73.56 -30.15 62.87 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.396 0.617 . . . . 0.0 111.938 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -68.65 -32.66 55.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.068 0.937 . . . . 0.0 110.651 -172.729 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -49.94 -40.7 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.856 0.836 . . . . 0.0 111.084 172.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.563 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -91.84 44.67 1.18 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.503 0.668 . . . . 0.0 111.567 179.681 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 121.882 0.849 . . . . 0.0 111.191 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 121.384 0.611 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.98 -75.33 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.997 0.903 . . . . 0.0 111.907 172.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 27' ' ' SER . 70.6 tt0 -52.17 -49.22 64.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.954 0.883 . . . . 0.0 112.26 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -26.74 67.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.75 -0.594 . . . . 0.0 111.494 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -68.37 -35.7 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.036 0.922 . . . . 0.0 111.224 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 13.3 t -60.07 -29.61 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.615 0.721 . . . . 0.0 111.213 172.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -80.75 -29.03 36.29 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.422 0.63 . . . . 0.0 111.973 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.99 49.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.929 0.871 . . . . 0.0 110.776 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.02 74.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.815 0.817 . . . . 0.0 111.019 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.67 51.12 1.81 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.738 0.78 . . . . 0.0 111.402 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 110.959 172.807 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.623 0 CA-C-O 121.574 0.702 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -59.23 2.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.924 0.869 . . . . 0.0 111.089 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.07 -47.92 79.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.773 0.796 . . . . 0.0 111.963 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -30.27 61.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.378 0.609 . . . . 0.0 111.444 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.14 -33.39 58.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.058 0.932 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 t -61.74 -29.24 69.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.591 0.71 . . . . 0.0 111.332 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -81.38 -28.3 34.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.397 0.618 . . . . 0.0 111.94 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -33.26 23.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.882 0.849 . . . . 0.0 111.109 -172.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -76.13 -35.23 59.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.88 0.848 . . . . 0.0 111.333 -172.629 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 30.85 1.42 Allowed 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.878 -0.514 . . . . 0.0 112.356 -172.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.245 0.844 0 O-C-N 121.77 -0.581 . . . . 0.0 112.224 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.243 0.712 0 CA-C-O 121.294 0.568 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -43.71 93.32 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.467 -0.771 . . . . 0.0 111.241 172.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.0 -41.59 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.909 0.862 . . . . 0.0 111.146 -172.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -64.66 -23.88 67.4 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.272 0.558 . . . . 0.0 111.693 174.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.598 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.9 mt -66.79 -26.84 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.265 177.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -64.77 -37.78 88.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.928 0.87 . . . . 0.0 110.916 172.633 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.56 -30.06 68.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.352 0.596 . . . . 0.0 111.709 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 HD21 ' A' ' 25' ' ' LEU . 1.6 mt -68.74 -39.81 80.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.926 0.869 . . . . 0.0 110.738 -173.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -57.06 -31.82 65.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.498 0.666 . . . . 0.0 111.444 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.31 28.17 1.5 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 111.842 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.245 0.85 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -67.91 -47.38 68.95 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.319 -0.863 . . . . 0.0 111.173 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.04 -41.83 70.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 110.955 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -72.16 -22.34 61.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.339 0.59 . . . . 0.0 111.688 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.57 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.4 mt -60.06 -26.1 35.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.534 0.683 . . . . 0.0 111.448 172.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.85 91.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.987 0.898 . . . . 0.0 110.697 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -65.14 -29.31 70.14 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.388 0.613 . . . . 0.0 111.679 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.2 mt -70.5 -37.82 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.258 1.028 . . . . 0.0 110.621 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.87 63.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.946 0.879 . . . . 0.0 111.046 172.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.02 35.05 1.3 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.546 0.688 . . . . 0.0 111.783 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 121.757 0.789 . . . . 0.0 110.939 175.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.67 0 CA-C-O 121.421 0.629 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -47.6 60.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.698 0.761 . . . . 0.0 111.242 -172.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.62 -37.26 42.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.999 0.904 . . . . 0.0 110.822 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -27.6 64.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.426 0.631 . . . . 0.0 111.389 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.476 HG23 ' HE2' ' A' ' 30' ' ' LYS . 1.2 mt -66.9 -31.82 55.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.786 0.803 . . . . 0.0 111.106 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -32.34 73.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.08 0.943 . . . . 0.0 110.844 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -71.1 -27.5 63.64 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.163 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -29.78 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.952 0.882 . . . . 0.0 111.031 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.29 -36.94 64.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 111.001 172.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -93.02 45.81 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.524 0.678 . . . . 0.0 111.617 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 121.828 0.823 . . . . 0.0 111.124 173.414 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.485 0.66 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -43.72 90.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.67 0.748 . . . . 0.0 111.039 172.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.32 -41.33 40.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.879 0.847 . . . . 0.0 111.031 -172.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.64 -23.62 67.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.266 0.555 . . . . 0.0 111.837 174.191 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.88 -30.96 43.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.597 0.713 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -32.87 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.302 1.049 . . . . 0.0 110.521 172.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -70.8 -29.82 66.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.663 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.78 -33.44 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.063 0.935 . . . . 0.0 110.603 -173.492 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -56.14 -34.15 65.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.731 0.777 . . . . 0.0 111.072 173.338 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 45.14 1.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.577 0.703 . . . . 0.0 111.548 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 122.128 0.966 . . . . 0.0 110.7 172.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.243 0.744 0 CA-C-O 121.234 0.54 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.15 86.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.576 -0.703 . . . . 0.0 111.451 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -80.82 -39.62 26.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.998 0.904 . . . . 0.0 110.933 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.45 -21.32 62.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.29 0.567 . . . . 0.0 112.111 172.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.2 mt -70.32 -35.19 61.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.635 0.731 . . . . 0.0 111.4 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -31.44 72.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.144 0.973 . . . . 0.0 110.752 172.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.02 -30.51 66.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.391 0.615 . . . . 0.0 111.81 172.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -33.72 41.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.981 0.896 . . . . 0.0 110.886 -172.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -40.81 80.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.81 0.814 . . . . 0.0 111.168 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.34 38.18 1.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.542 0.687 . . . . 0.0 111.693 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 122.765 1.269 . . . . 0.0 110.184 179.502 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.863 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.244 0.811 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -32.66 6.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.001 0.905 . . . . 0.0 110.724 171.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -91.49 -38.9 12.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.608 0.718 . . . . 0.0 111.184 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -28.28 68.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.334 0.588 . . . . 0.0 111.488 176.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -68.44 -29.56 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.624 0.726 . . . . 0.0 111.436 179.26 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -66.81 -33.41 75.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.083 0.944 . . . . 0.0 110.882 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -28.04 63.43 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.29 0.567 . . . . 0.0 111.994 172.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -32.32 22.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.865 0.841 . . . . 0.0 111.029 -173.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -63.45 -37.59 87.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.818 0.818 . . . . 0.0 110.989 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.54 48.75 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 111.46 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.682 0 CA-C-O 122.197 0.999 . . . . 0.0 110.896 172.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 122.007 0.908 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -28.47 66.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.294 0.569 . . . . 0.0 111.457 175.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -83.73 -46.09 12.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.702 0.763 . . . . 0.0 111.883 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.23 -21.14 61.46 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.858 -0.526 . . . . 0.0 112.166 172.624 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.526 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -70.2 -34.79 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.74 0.781 . . . . 0.0 111.148 172.409 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -63.92 -29.38 70.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.155 0.978 . . . . 0.0 110.701 171.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -27.88 56.62 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.355 0.598 . . . . 0.0 111.917 172.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -67.45 -33.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 122.591 1.186 . . . . 0.0 110.016 -176.595 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -65.94 -30.94 71.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.164 0.983 . . . . 0.0 110.744 172.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 51.65 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.462 0.649 . . . . 0.0 111.603 172.855 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.459 0.647 . . . . 0.0 111.572 178.2 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.243 0.728 0 CA-C-O 121.195 0.521 . . . . 0.0 111.88 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -51.01 61.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.649 -0.657 . . . . 0.0 111.343 -175.339 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.94 -40.56 60.74 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.995 0.902 . . . . 0.0 110.88 -176.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.53 -26.54 63.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 0.0 111.8 172.679 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.89 -28.83 38.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 0.0 111.104 -175.371 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -31.51 71.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 111.009 172.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -28.64 61.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.365 0.602 . . . . 0.0 112.045 174.199 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -37.16 24.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.925 0.869 . . . . 0.0 111.024 -172.448 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -57.96 -37.78 74.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.24 1.019 . . . . 0.0 110.85 -176.372 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.14 39.71 1.05 Allowed 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.2 -172.262 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.243 0.754 0 CA-C-O 121.386 0.612 . . . . 0.0 111.933 178.068 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.807 0.813 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -61.62 -38.01 86.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.706 0.765 . . . . 0.0 111.096 178.5 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.36 -41.32 40.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.886 0.851 . . . . 0.0 110.976 -173.03 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.567 HD12 HH21 ' A' ' 28' ' ' ARG . 0.1 OUTLIER -66.1 -24.1 66.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.118 174.886 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.4 mt -67.37 -26.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.639 0.733 . . . . 0.0 111.048 -177.194 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -43.0 73.44 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.348 1.07 . . . . 0.0 110.272 171.534 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.567 HH21 HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.48 -31.87 56.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.546 0.689 . . . . 0.0 111.881 171.774 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -33.99 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.897 0.856 . . . . 0.0 110.829 -172.091 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.679 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.34 -40.79 78.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.997 0.903 . . . . 0.0 110.991 179.329 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.679 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.1 tt0 -92.96 36.74 1.03 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.21 0.528 . . . . 0.0 111.911 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.245 0.828 0 O-C-N 121.746 -0.596 . . . . 0.0 112.143 -172.606 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.628 0 CA-C-O 121.376 0.608 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.39 90.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.637 0.732 . . . . 0.0 111.236 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.48 -40.6 70.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.033 0.921 . . . . 0.0 111.022 -174.161 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -27.79 68.96 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.259 0.552 . . . . 0.0 111.81 173.042 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.9 -27.14 29.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.683 0.754 . . . . 0.0 111.28 -173.053 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.738 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.4 t -71.46 -34.53 70.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 110.989 172.615 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.29 -26.02 65.44 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.265 0.555 . . . . 0.0 111.844 172.402 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.467 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -83.4 -32.06 8.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.61 0.719 . . . . 0.0 111.209 -174.281 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -62.49 -36.05 81.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.948 0.88 . . . . 0.0 110.962 -178.214 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.642 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -93.97 33.98 1.28 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.855 -0.528 . . . . 0.0 112.38 -172.172 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.243 0.754 0 O-C-N 121.742 -0.599 . . . . 0.0 112.371 -175.791 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 122.153 0.978 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -49.73 -62.54 1.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.904 0.859 . . . . 0.0 111.732 172.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -68.46 -42.99 77.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.721 0.772 . . . . 0.0 111.369 -172.214 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -25.08 62.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.229 0.538 . . . . 0.0 111.858 176.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.55 -31.49 32.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.662 0.744 . . . . 0.0 111.5 -177.115 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.784 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -69.29 -38.54 78.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.921 174.303 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -64.54 -31.32 72.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.394 0.616 . . . . 0.0 111.742 172.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -32.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.789 0.804 . . . . 0.0 111.145 -172.347 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.784 ' HD3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -58.84 -34.75 71.91 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.762 0.792 . . . . 0.0 111.143 177.299 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.591 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -93.77 43.66 1.11 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.36 0.6 . . . . 0.0 111.684 -173.262 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.718 0.77 . . . . 0.0 111.349 177.854 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.246 0.907 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -36.05 62.35 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.379 -0.826 . . . . 0.0 111.443 -178.391 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.2 -40.58 16.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.998 0.904 . . . . 0.0 110.987 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.05 -24.34 67.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 172.877 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -63.43 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.633 0.73 . . . . 0.0 111.473 -179.817 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -32.76 74.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.086 0.946 . . . . 0.0 110.904 174.21 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -75.46 -23.94 56.93 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.431 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -33.28 11.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.341 -0.849 . . . . 0.0 111.268 -172.155 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.92 76.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.673 0.749 . . . . 0.0 111.198 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -93.24 32.99 1.24 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.309 0.576 . . . . 0.0 112.203 -172.716 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--O 1.242 0.68 0 CA-C-O 121.579 0.704 . . . . 0.0 111.788 172.523 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.245 0.841 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -49.71 56.86 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.413 -0.805 . . . . 0.0 111.412 179.157 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -70.13 -40.59 74.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.983 0.897 . . . . 0.0 110.82 -177.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.47 -24.14 67.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.218 0.533 . . . . 0.0 111.812 172.71 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.8 mt -73.81 -34.51 40.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.57 0.7 . . . . 0.0 111.256 177.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.544 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 29.6 t -66.68 -26.81 67.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.778 0.799 . . . . 0.0 110.623 172.246 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -76.7 -29.02 56.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.439 0.637 . . . . 0.0 111.491 171.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.3 mt -70.53 -36.88 67.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.003 0.906 . . . . 0.0 110.724 -173.857 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -61.77 -39.2 90.82 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 110.966 -178.175 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.599 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.4 tt0 -91.78 44.84 1.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.603 179.145 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 121.927 0.87 . . . . 0.0 111.074 179.675 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.707 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.653 0 CA-C-O 121.516 0.674 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 -16.18 10.92 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 0.0 112.141 174.052 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -96.16 -33.88 11.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.939 0.876 . . . . 0.0 110.035 170.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.5 -32.32 73.9 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.379 1.561 . . . . 0.0 107.697 169.242 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -83.27 162.12 3.24 Favored 'Isoleucine or valine' 0 C--O 1.252 1.191 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 164.305 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.701 ' HB3' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 80.7 -45.36 0.25 Allowed 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.64 -1.288 . . . . 0.0 110.058 -165.63 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -32.35 35.47 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.266 -0.896 . . . . 0.0 111.093 170.677 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -43.09 77.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.761 0.791 . . . . 0.0 110.496 176.375 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -34.38 13.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.106 0.955 . . . . 0.0 111.131 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.3 45.11 1.19 Allowed 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.812 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.736 0 CA-C-O 121.567 0.699 . . . . 0.0 111.751 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 121.478 0.656 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.77 -162.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 126.278 4.652 . . . . 0.0 114.656 175.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.676 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 24.8 t0 -64.64 91.38 0.08 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.75 0.785 . . . . 0.0 110.909 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.01 84.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.158 0.98 . . . . 0.0 110.839 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t 169.17 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.26 1.029 . . . . 0.0 110.664 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -150.23 44.1 0.87 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.913 0.863 . . . . 0.0 110.793 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -97.09 -26.17 15.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.124 0.964 . . . . 0.0 111.26 -176.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -28.65 67.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.239 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.33 -44.97 44.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.538 0.685 . . . . 0.0 111.613 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.1 -36.38 81.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.85 0.833 . . . . 0.0 111.023 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -70.49 -17.42 62.96 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.333 0.587 . . . . 0.0 112.217 -174.3 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -86.98 59.97 5.95 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.809 0.814 . . . . 0.0 110.727 171.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.6 tp10 170.13 -80.67 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 O-C-N 120.979 -1.075 . . . . 0.0 110.239 -171.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -42.98 -17.0 0.01 OUTLIER 'General case' 0 C--O 1.26 1.642 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 168.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.67 -42.9 6.28 Favored Glycine 0 N--CA 1.465 0.581 0 CA-C-N 120.598 1.544 . . . . 0.0 111.957 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -38.8 39.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.205 1.002 . . . . 0.0 111.241 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 51.9 m -70.96 -25.55 62.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.296 -172.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -81.42 -32.58 32.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.103 0.478 . . . . 0.0 112.253 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 5.1 tp10 -71.15 -7.46 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.625 -0.672 . . . . 0.0 112.624 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -19.97 12.61 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.363 -0.836 . . . . 0.0 110.895 171.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -89.32 3.14 53.1 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 121.306 -0.871 . . . . 0.0 112.539 172.505 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -140.57 30.56 1.9 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.388 1.089 . . . . 0.0 110.364 170.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -140.98 -41.04 0.39 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.552 0.692 . . . . 0.0 109.998 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -91.2 -30.9 16.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.379 1.085 . . . . 0.0 110.103 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.696 176.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -67.04 -26.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.631 0.729 . . . . 0.0 111.505 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.621 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.1 t -75.37 -30.14 60.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.884 0.85 . . . . 0.0 111.025 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -72.02 -21.45 61.54 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.727 -0.608 . . . . 0.0 111.91 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -33.88 7.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.945 0.879 . . . . 0.0 110.87 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.82 -32.48 73.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.732 0.777 . . . . 0.0 111.099 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 35.95 1.02 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.515 0.674 . . . . 0.0 111.84 -174.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -170.28 41.66 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.65 0.738 . . . . 0.0 111.259 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 29.16 5.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 111.951 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.028 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -107.16 -37.16 6.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.847 0.832 . . . . 0.0 111.411 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.13 28.09 17.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.588 0.709 . . . . 0.0 110.815 -170.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.028 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -104.65 -35.61 7.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.745 0.783 . . . . 0.0 110.992 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.12 42.87 0.34 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.862 0.839 . . . . 0.0 110.999 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.186 0 CA-C-O 122.054 0.93 . . . . 0.0 110.989 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.637 ' CG2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 121.915 0.864 . . . . 0.0 111.066 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.33 -173.08 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.515 1 C-N-CA 126.455 4.77 . . . . 0.0 114.858 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.69 98.75 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.995 0.902 . . . . 0.0 110.924 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG23 ' CG2' ' A' ' 1' ' ' THR . 1.0 OUTLIER -98.48 -17.56 6.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -63.94 -36.26 83.39 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.338 -0.851 . . . . 0.0 111.122 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -120.98 36.17 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.691 0.758 . . . . 0.0 111.159 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.47 -20.12 40.89 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 tp -73.92 -31.17 62.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.669 0.747 . . . . 0.0 111.114 173.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -49.63 -41.45 42.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.714 0.768 . . . . 0.0 111.29 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -54.66 -38.13 66.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.804 0.811 . . . . 0.0 111.157 -172.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD22 ' HD2' ' A' ' 14' ' ' PHE . 22.2 mt -85.62 -75.96 0.35 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.722 0.773 . . . . 0.0 110.962 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.1 OUTLIER 23.63 56.96 0.03 OUTLIER 'General case' 0 C--O 1.247 0.929 0 C-N-CA 124.815 1.246 . . . . 0.0 113.636 -171.269 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 4.3 tt0 163.75 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.913 -1.117 . . . . 0.0 109.957 -171.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HD2' HD22 ' A' ' 11' ' ' LEU . 60.0 t80 -50.08 -10.65 0.05 Allowed 'General case' 0 C--O 1.261 1.662 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 169.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.32 -39.92 4.65 Favored Glycine 0 C--N 1.315 -0.585 0 CA-C-N 120.947 1.703 . . . . 0.0 110.901 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -48.55 -34.14 10.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.74 0.781 . . . . 0.0 111.169 172.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -52.3 -46.54 65.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.692 0.758 . . . . 0.0 111.216 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -59.81 -39.32 84.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 111.011 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.84 31.58 2.06 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.485 0.659 . . . . 0.0 111.847 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -130.08 -49.82 1.11 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.949 0.881 . . . . 0.0 111.117 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -18.4 34.83 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.267 0.556 . . . . 0.0 111.853 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -74.58 -11.57 60.24 Favored 'General case' 0 C--O 1.246 0.916 0 O-C-N 121.496 -0.753 . . . . 0.0 112.694 172.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -43.79 67.01 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.331 -0.856 . . . . 0.0 111.347 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.64 -38.97 53.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.03 0.919 . . . . 0.0 110.9 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.58 -26.93 68.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.289 0.566 . . . . 0.0 111.555 172.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.432 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 1.8 mt -65.73 -27.22 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.677 0.751 . . . . 0.0 111.172 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.592 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -65.16 -33.32 75.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.925 0.869 . . . . 0.0 110.899 172.527 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -73.18 -28.28 62.12 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.239 0.542 . . . . 0.0 111.895 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 25' ' ' LEU . 1.1 mp -72.25 -35.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.923 0.868 . . . . 0.0 110.759 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -61.59 -29.54 70.1 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.365 0.602 . . . . 0.0 111.802 -176.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.44 30.03 1.19 Allowed 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.554 -0.716 . . . . 0.0 112.922 -171.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.39 37.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.478 0.656 . . . . 0.0 111.977 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -134.3 30.1 3.6 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.722 -0.611 . . . . 0.0 112.149 173.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.684 ' O ' ' HB2' ' A' ' 35' ' ' SER . 0.2 OUTLIER -116.46 -50.28 2.64 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.694 0.759 . . . . 0.0 111.154 175.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.684 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 16.8 m 81.42 6.67 1.2 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 123.908 0.883 . . . . 0.0 112.95 -172.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 153.48 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.12 1.438 . . . . 0.0 109.22 -172.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -165.31 25.63 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.789 170.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.137 0 CA-C-O 122.074 0.94 . . . . 0.0 111.285 -172.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.837 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 122.424 1.106 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.837 ' HD2' HG22 ' A' ' 1' ' ' THR . 0.1 OUTLIER -88.02 -115.85 0.01 OUTLIER 'Trans proline' 0 N--CA 1.535 3.96 1 C-N-CA 127.245 5.296 . . . . 0.0 112.779 176.361 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.22 87.52 0.6 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.945 0.879 . . . . 0.0 110.717 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.69 -26.26 40.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.107 -172.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -61.94 -49.2 77.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.834 0.826 . . . . 0.0 110.96 -172.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -110.38 33.24 4.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.458 0.646 . . . . 0.0 111.349 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.78 -21.18 17.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.403 0.62 . . . . 0.0 112.544 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -29.91 54.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.936 0.874 . . . . 0.0 110.906 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.79 -39.95 27.18 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.718 0.771 . . . . 0.0 111.19 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -55.17 -41.43 71.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.845 0.831 . . . . 0.0 111.028 -172.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 14' ' ' PHE . 32.4 mt -78.67 -74.3 0.28 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 110.971 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 2.4 tptt 27.28 58.59 0.09 Allowed 'General case' 0 C--O 1.25 1.088 0 C-N-CA 124.506 1.122 . . . . 0.0 113.549 -171.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.684 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.4 tt0 160.09 -77.73 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 O-C-N 120.552 -1.342 . . . . 0.0 109.697 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD1' HD22 ' A' ' 11' ' ' LEU . 2.3 t80 -47.27 -19.25 0.13 Allowed 'General case' 0 C--O 1.261 1.691 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 169.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.02 -38.62 3.77 Favored Glycine 0 N--CA 1.464 0.556 0 CA-C-N 120.853 1.66 . . . . 0.0 110.916 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -49.15 -37.2 21.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.872 0.844 . . . . 0.0 111.004 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.8 m -58.67 -43.71 89.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.942 0.877 . . . . 0.0 110.966 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 18' ' ' LEU . 1.4 mt -60.26 -35.32 75.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.762 0.792 . . . . 0.0 111.024 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.09 31.63 2.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.609 0.719 . . . . 0.0 111.906 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -132.56 -48.14 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.906 0.86 . . . . 0.0 111.016 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -20.54 25.41 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.351 0.596 . . . . 0.0 111.766 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -71.46 -25.36 62.26 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.526 -0.734 . . . . 0.0 111.527 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -46.02 69.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.663 0.744 . . . . 0.0 111.315 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.56 -41.8 65.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.865 0.84 . . . . 0.0 111.03 -172.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -24.98 66.25 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.153 0.501 . . . . 0.0 111.92 175.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.85 -29.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -32.41 72.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.091 0.948 . . . . 0.0 110.968 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.86 -30.48 65.47 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 111.895 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -29.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.785 0.802 . . . . 0.0 111.087 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.752 0.787 . . . . 0.0 111.006 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 42.24 1.09 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.57 0.7 . . . . 0.0 111.7 -175.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 p -167.24 33.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.632 0.73 . . . . 0.0 111.442 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.02 31.07 4.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.437 0.636 . . . . 0.0 111.87 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD23 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -102.33 -48.97 4.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.816 0.817 . . . . 0.0 110.942 173.23 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER 66.86 20.66 10.54 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.231 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 90.11 -31.98 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.683 1.193 . . . . 0.0 111.679 172.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -123.06 -42.84 2.25 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.424 -0.798 . . . . 0.0 111.327 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.182 0 CA-C-O 122.042 0.925 . . . . 0.0 110.98 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.738 0 CA-C-O 122.106 0.955 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -56.65 -158.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.51 1 C-N-CA 126.375 4.716 . . . . 0.0 114.566 175.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -61.4 -11.84 11.94 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.558 ' O ' HG21 ' A' ' 1' ' ' THR . 6.7 p -89.43 52.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 121.378 -0.826 . . . . 0.0 111.619 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.678 ' HB3' HG22 ' A' ' 1' ' ' THR . 70.9 p -100.21 -43.63 6.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.931 0.872 . . . . 0.0 110.878 172.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.07 36.39 4.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.776 0.798 . . . . 0.0 110.961 172.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.81 -16.67 40.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.476 0.655 . . . . 0.0 112.346 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 tt -70.54 -29.66 66.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.065 0.936 . . . . 0.0 110.9 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.43 0.633 . . . . 0.0 111.313 173.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -49.83 -42.13 46.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.743 0.783 . . . . 0.0 110.59 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD12 ' CG ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -85.64 -98.6 0.07 Allowed 'General case' 0 C--O 1.243 0.755 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.844 171.318 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 56.85 -86.83 0.02 OUTLIER 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.961 -0.462 . . . . 0.0 111.296 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.629 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 13.6 tt0 -38.38 -71.07 0.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.044 -1.035 . . . . 0.0 113.384 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.47 ' CG ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -35.66 -32.28 0.02 OUTLIER 'General case' 0 C--O 1.253 1.246 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -177.363 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.04 -44.15 7.23 Favored Glycine 0 C--N 1.318 -0.468 0 O-C-N 120.967 -1.083 . . . . 0.0 110.784 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -45.73 -33.73 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.889 -0.771 . . . . 0.0 111.579 172.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.439 HG22 ' CD ' ' A' ' 21' ' ' LYS . 11.8 m -63.46 -41.43 98.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.796 0.808 . . . . 0.0 111.05 -174.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.34 -31.34 71.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.528 0.68 . . . . 0.0 111.344 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -92.53 27.88 2.16 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.703 -0.623 . . . . 0.0 112.305 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -132.91 -42.43 0.9 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.889 0.852 . . . . 0.0 110.874 172.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' CD ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -79.55 -23.27 42.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.337 0.589 . . . . 0.0 111.85 176.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -66.58 -30.77 71.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.421 0.629 . . . . 0.0 111.636 172.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.37 89.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.696 0.76 . . . . 0.0 111.268 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.47 -40.92 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.702 0.763 . . . . 0.0 111.275 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.43 -21.96 66.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.344 0.592 . . . . 0.0 111.736 176.373 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -68.09 -33.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.5 0.667 . . . . 0.0 111.46 173.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -33.94 77.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.175 0.988 . . . . 0.0 110.675 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -29.13 65.92 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.805 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.35 -33.99 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.71 -172.662 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.832 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.27 -47.0 82.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.831 0.824 . . . . 0.0 110.997 174.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.832 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.7 tt0 -93.74 45.64 1.16 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.592 0.71 . . . . 0.0 111.516 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.19 39.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.003 0.906 . . . . 0.0 111.055 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.82 28.98 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.471 0.653 . . . . 0.0 111.807 -177.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -125.38 -48.93 1.68 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.714 0.769 . . . . 0.0 111.075 179.066 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.612 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 p 68.06 20.27 9.08 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 88.08 -23.87 0.11 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.442 1.097 . . . . 0.0 112.288 171.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -125.98 -45.79 1.71 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.802 0.811 . . . . 0.0 111.097 172.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.14 0 CA-C-O 121.999 0.904 . . . . 0.0 110.989 -172.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.874 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 121.655 0.74 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 1' ' ' THR . 74.4 Cg_exo -54.97 -158.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.572 1 C-N-CA 126.259 4.639 . . . . 0.0 114.677 174.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 6.2 t70 -59.06 92.68 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.857 0.837 . . . . 0.0 110.895 172.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.684 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 6.0 p -61.88 -26.69 40.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.402 0.62 . . . . 0.0 111.583 -172.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -56.41 -62.82 1.46 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.877 0.846 . . . . 0.0 110.935 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -98.74 35.31 1.87 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.834 0.826 . . . . 0.0 111.246 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . . . -94.39 148.68 21.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.611 1.196 . . . . 0.0 109.557 170.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER 38.86 31.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.751 1.739 . . . . 0.0 113.148 -169.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -97.71 -42.06 7.8 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.933 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -58.7 -45.03 90.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.935 0.874 . . . . 0.0 111.054 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.701 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.7 mm? -75.4 -2.13 27.13 Favored 'General case' 0 C--O 1.252 1.207 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -172.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -51.82 154.81 1.93 Allowed 'General case' 0 C--O 1.255 1.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 8.4 tp10 73.82 -73.89 0.09 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.713 -1.242 . . . . 0.0 110.721 -168.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.701 ' CD1' HD12 ' A' ' 11' ' ' LEU . 4.0 t80 -41.4 -22.84 0.02 OUTLIER 'General case' 0 C--O 1.259 1.598 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 174.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -94.43 -34.16 6.49 Favored Glycine 0 C--N 1.316 -0.531 0 CA-C-N 120.321 1.419 . . . . 0.0 110.907 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -56.41 -43.14 79.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.799 0.809 . . . . 0.0 111.02 175.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -54.72 -38.54 67.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.753 0.787 . . . . 0.0 110.946 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 9.4 tp -51.45 -47.72 62.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.688 0.756 . . . . 0.0 111.016 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HG3' ' NH1' ' A' ' 23' ' ' ARG . 4.2 tp10 -68.14 -46.91 69.52 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.42 0.629 . . . . 0.0 111.751 -172.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.98 -48.99 76.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.713 0.768 . . . . 0.0 111.399 -172.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -13.07 59.12 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.642 -0.661 . . . . 0.0 112.126 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -78.61 -23.98 45.64 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.354 -0.841 . . . . 0.0 111.941 172.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' NH1' ' HG3' ' A' ' 19' ' ' GLU . 1.6 mpt_? -70.99 -40.58 71.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.0 111.171 -178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.31 -38.95 49.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.1 0.952 . . . . 0.0 110.976 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -26.5 68.22 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.528 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 22' ' ' ALA . 3.2 mt -66.09 -26.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 121.592 -0.693 . . . . 0.0 111.386 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -67.28 -33.81 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.468 1.127 . . . . 0.0 110.036 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -65.12 -31.91 73.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.448 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -43.28 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.004 0.907 . . . . 0.0 110.757 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.47 94.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.803 0.811 . . . . 0.0 111.073 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.79 47.85 1.25 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.558 -175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.67 38.32 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.741 0.782 . . . . 0.0 111.106 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.77 22.9 8.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.49 0.662 . . . . 0.0 111.861 -172.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -60.93 -42.77 98.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.729 0.776 . . . . 0.0 110.954 -172.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.4 OUTLIER 49.68 29.78 3.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.53 0.681 . . . . 0.0 111.311 -176.702 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 64.01 63.78 0.79 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.952 0.882 . . . . 0.0 110.897 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.15 1.84 4.15 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.173 0 CA-C-O 121.991 0.9 . . . . 0.0 110.955 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -57.31 -145.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.713 1 C-N-CA 126.511 4.807 . . . . 0.0 114.178 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 24.6 t70 -88.5 49.59 1.82 Allowed 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.134 -0.979 . . . . 0.0 110.815 170.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 2.4 t -118.18 26.41 3.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 123.208 1.48 . . . . 0.0 110.798 -174.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -53.53 2.73 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.669 -1.269 . . . . 0.0 110.684 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -112.79 40.46 2.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.895 0.855 . . . . 0.0 110.823 172.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -85.46 -24.33 27.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.708 0.766 . . . . 0.0 112.063 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.723 ' O ' HD22 ' A' ' 8' ' ' LEU . 1.2 tm? -73.11 -30.53 63.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.031 0.919 . . . . 0.0 110.751 172.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.87 -44.71 59.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.849 0.833 . . . . 0.0 110.947 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -53.92 -35.56 61.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.823 0.821 . . . . 0.0 110.928 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' HG ' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -82.32 -92.58 0.06 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.33 0.586 . . . . 0.0 110.632 172.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER 58.42 -86.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.91 -0.494 . . . . 0.0 111.236 -172.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.56 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 172.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' HD2' ' HG ' ' A' ' 11' ' ' LEU . 4.2 t80 -43.91 -22.39 0.06 Allowed 'General case' 0 C--O 1.257 1.493 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.55 -38.26 6.68 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 120.274 1.397 . . . . 0.0 110.636 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.22 -25.91 25.58 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.748 -0.854 . . . . 0.0 111.841 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.475 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 37.7 m -46.35 -47.1 18.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.411 0.624 . . . . 0.0 112.008 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.62 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -53.05 -46.2 68.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 111.534 179.219 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.99 31.54 1.41 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 121.701 -0.625 . . . . 0.0 112.612 -172.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.77 -48.95 0.88 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.931 0.872 . . . . 0.0 111.225 172.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -75.15 -20.26 59.46 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.336 0.589 . . . . 0.0 111.731 174.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -80.34 -26.63 38.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.748 0.785 . . . . 0.0 111.026 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -47.62 85.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.732 0.777 . . . . 0.0 111.254 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -78.12 -40.1 39.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.862 0.839 . . . . 0.0 111.23 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -23.15 67.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.294 0.568 . . . . 0.0 111.807 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -66.46 -29.47 46.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.756 0.788 . . . . 0.0 111.211 175.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -43.26 77.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.92 0.867 . . . . 0.0 110.949 172.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -60.37 -28.92 68.59 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.372 0.606 . . . . 0.0 112.027 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -36.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.848 0.832 . . . . 0.0 111.091 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HB2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.54 -32.62 74.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.403 -179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -92.81 43.4 1.12 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.599 0.714 . . . . 0.0 111.931 -172.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 t -164.95 28.83 0.06 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.503 0.668 . . . . 0.0 111.628 172.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.28 25.24 4.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.536 0.684 . . . . 0.0 111.656 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.691 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.5 pt? -58.95 -40.29 84.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.899 1.333 . . . . 0.0 111.729 -172.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 4.6 p -155.12 25.14 0.42 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.869 1.795 . . . . 0.0 108.933 171.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -66.84 0.32 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.758 -166.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.81 30.13 3.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.815 0.817 . . . . 0.0 110.966 176.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.143 0 CA-C-O 122.012 0.911 . . . . 0.0 110.988 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.835 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 121.647 0.736 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.835 ' HD2' HG22 ' A' ' 1' ' ' THR . 73.3 Cg_exo -55.54 -157.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 126.27 4.647 . . . . 0.0 114.612 174.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.27 91.1 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 172.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.05 -17.39 22.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.353 -172.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -65.09 -49.82 68.54 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.418 -0.801 . . . . 0.0 111.146 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.96 34.3 3.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.52 0.676 . . . . 0.0 111.157 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.81 -23.25 21.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.675 0.75 . . . . 0.0 112.291 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.79 -31.56 64.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.082 0.944 . . . . 0.0 110.603 171.645 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -51.4 -42.37 61.39 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.777 -0.577 . . . . 0.0 112.232 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -34.94 58.73 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.623 0.725 . . . . 0.0 110.947 -171.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.072 HD22 ' CD2' ' A' ' 14' ' ' PHE . 90.3 mt -78.39 -98.47 0.03 OUTLIER 'General case' 0 C--O 1.245 0.836 0 O-C-N 122.03 -0.419 . . . . 0.0 110.342 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 tptt 58.54 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.611 -0.681 . . . . 0.0 111.764 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -38.03 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.477 -0.764 . . . . 0.0 112.899 172.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 1.072 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.61 -31.88 0.03 OUTLIER 'General case' 0 C--O 1.253 1.248 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -177.201 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 18' ' ' LEU . . . -71.22 -52.52 13.17 Favored Glycine 0 C--N 1.317 -0.513 0 O-C-N 120.985 -1.072 . . . . 0.0 111.128 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -48.2 -35.64 12.21 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.737 -0.861 . . . . 0.0 112.14 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.491 HG22 ' CD ' ' A' ' 21' ' ' LYS . 86.8 m -70.06 -27.06 64.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -82.65 -19.93 37.27 Favored 'General case' 0 C--O 1.244 0.794 0 O-C-N 121.725 -0.61 . . . . 0.0 112.102 172.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.12 29.96 2.02 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.585 -0.697 . . . . 0.0 112.26 174.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -143.93 -42.08 0.27 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.132 0.968 . . . . 0.0 110.449 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' CD ' HG22 ' A' ' 17' ' ' THR . 5.7 mtpt -64.11 -46.3 84.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.678 0.751 . . . . 0.0 110.713 171.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -55.88 -29.7 60.37 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.279 0.561 . . . . 0.0 111.927 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -58.03 4.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.661 0.743 . . . . 0.0 111.306 -172.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.71 -39.45 93.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.349 1.071 . . . . 0.0 110.915 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -74.08 -22.13 59.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.546 0.689 . . . . 0.0 111.337 -174.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.26 -32.94 56.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.762 0.791 . . . . 0.0 111.039 172.18 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.47 80.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.102 0.953 . . . . 0.0 110.639 172.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -65.72 -22.82 66.64 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.377 172.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.09 7.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.066 0.936 . . . . 0.0 110.688 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.08 -39.49 63.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.989 0.9 . . . . 0.0 110.822 172.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.51 46.79 1.26 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.638 0.732 . . . . 0.0 111.529 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -168.24 43.01 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 111.022 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.42 30.78 5.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.711 0.767 . . . . 0.0 111.697 -172.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD23 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -48.5 -36.42 15.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.772 0.796 . . . . 0.0 111.37 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 m 51.35 35.08 13.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.639 0.733 . . . . 0.0 111.244 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 57.46 1.24 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.907 0.86 . . . . 0.0 110.898 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.5 36.18 6.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 111.013 174.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.127 0 CA-C-O 121.945 0.878 . . . . 0.0 110.616 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.995 0.902 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.27 176.71 0.49 Allowed 'Trans proline' 0 N--CA 1.528 3.546 1 C-N-CA 126.294 4.663 . . . . 0.0 114.693 174.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER 31.47 -89.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.195 1.398 . . . . 0.0 113.751 172.731 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 3' ' ' ASP . 1.9 p 50.47 27.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 121.548 -0.72 . . . . 0.0 111.648 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.69 -39.24 3.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.943 0.878 . . . . 0.0 110.924 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -131.08 35.2 3.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.698 0.761 . . . . 0.0 111.026 174.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.49 31.56 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.76 0.791 . . . . 0.0 112.065 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.55 -30.72 71.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.167 0.984 . . . . 0.0 110.53 172.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.82 -41.07 97.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.899 0.857 . . . . 0.0 110.852 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -58.36 -35.86 72.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.745 0.784 . . . . 0.0 110.968 -174.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -88.42 -93.97 0.1 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 174.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.35 -85.35 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.766 -0.584 . . . . 0.0 111.653 -174.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -37.43 -72.77 0.05 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 172.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -33.35 -40.22 0.06 Allowed 'General case' 0 C--O 1.248 0.988 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -179.549 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -67.67 -51.33 36.54 Favored Glycine 0 C--N 1.318 -0.44 0 O-C-N 121.308 -0.87 . . . . 0.0 111.266 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -47.05 -34.09 5.47 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.809 -0.818 . . . . 0.0 111.923 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.6 m -57.93 -40.75 81.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.538 0.685 . . . . 0.0 111.434 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.677 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -69.35 -33.58 73.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.458 0.647 . . . . 0.0 111.364 -178.227 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 30.58 5.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.517 0.675 . . . . 0.0 112.001 -173.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.72 -44.74 0.53 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.918 . . . . 0.0 110.721 172.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -67.86 -35.46 78.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.84 0.828 . . . . 0.0 110.891 172.197 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -83.85 -25.12 30.55 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.101 0.477 . . . . 0.0 112.002 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' CD ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -82.31 -23.29 35.23 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.694 -0.628 . . . . 0.0 111.957 -176.42 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -85.38 -40.47 16.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.93 0.871 . . . . 0.0 111.006 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -22.69 66.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.325 0.584 . . . . 0.0 111.882 172.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -26.89 40.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.599 0.714 . . . . 0.0 111.397 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -71.22 -40.32 71.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.907 0.86 . . . . 0.0 110.836 172.474 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -27.1 68.16 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 111.778 172.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -34.54 11.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.833 0.825 . . . . 0.0 110.925 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.901 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.45 -30.82 71.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.619 0.723 . . . . 0.0 111.286 -177.054 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.901 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 1.9 tt0 -92.53 47.64 1.32 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.363 0.602 . . . . 0.0 111.658 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -168.71 34.69 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.684 0.754 . . . . 0.0 111.376 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.08 29.53 5.59 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.795 -0.566 . . . . 0.0 112.058 -172.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.071 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -82.25 -35.96 27.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.706 0.765 . . . . 0.0 111.185 175.375 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m 51.07 27.4 3.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.945 0.878 . . . . 0.0 110.413 -171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.071 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -85.75 -59.93 2.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.94 0.876 . . . . 0.0 110.809 -172.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -97.58 -35.75 10.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.87 0.843 . . . . 0.0 110.883 172.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.176 0 CA-C-O 121.969 0.89 . . . . 0.0 110.767 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 121.97 0.89 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.17 -160.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.5 1 C-N-CA 126.529 4.819 . . . . 0.0 114.892 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.42 100.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.802 0.811 . . . . 0.0 111.0 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -101.52 28.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.658 0.742 . . . . 0.0 111.262 -178.301 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -110.71 -39.48 4.85 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.959 0.885 . . . . 0.0 110.828 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -109.2 34.63 3.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.799 0.809 . . . . 0.0 110.999 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.84 -19.92 14.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.605 0.717 . . . . 0.0 112.169 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -29.53 67.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.738 0.78 . . . . 0.0 111.112 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.41 -44.42 55.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.796 0.808 . . . . 0.0 111.05 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -68.03 -32.09 72.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.736 0.779 . . . . 0.0 110.935 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.808 HD12 ' CD1' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.66 37.38 2.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.131 0.967 . . . . 0.0 111.203 177.317 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -89.75 57.47 3.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.956 0.884 . . . . 0.0 110.298 171.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.4 tp10 172.72 -81.3 0.0 OUTLIER 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.519 -0.738 . . . . 0.0 110.272 -171.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.808 ' CD1' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -39.67 -27.76 0.04 OUTLIER 'General case' 0 C--O 1.258 1.513 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.457 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.48 -37.33 6.21 Favored Glycine 0 N--CA 1.465 0.58 0 O-C-N 120.614 -1.304 . . . . 0.0 110.805 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.88 -37.62 32.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.875 0.845 . . . . 0.0 111.018 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.1 m -68.79 -31.48 70.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.936 0.874 . . . . 0.0 110.975 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 8.6 mt -58.59 -39.13 79.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.816 0.817 . . . . 0.0 111.048 174.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -96.05 31.91 2.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.555 0.693 . . . . 0.0 111.873 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.06 -45.12 0.71 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.832 0.825 . . . . 0.0 110.924 172.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -23.84 23.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.458 0.647 . . . . 0.0 111.499 -177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -74.72 -10.84 59.9 Favored 'General case' 0 C--O 1.245 0.845 0 O-C-N 121.642 -0.661 . . . . 0.0 112.423 172.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -41.42 98.12 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 111.138 172.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -82.77 -42.25 18.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.05 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.67 66.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.348 0.594 . . . . 0.0 111.79 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -64.45 -30.09 49.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.776 0.798 . . . . 0.0 111.085 179.036 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.61 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.69 -35.26 79.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.916 173.536 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -73.63 -27.89 61.51 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.291 0.567 . . . . 0.0 112.046 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.69 -31.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.652 0.739 . . . . 0.0 111.266 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -60.18 -36.51 77.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.926 0.869 . . . . 0.0 111.027 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.51 42.35 1.1 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.317 0.579 . . . . 0.0 112.036 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 36.86 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 111.703 172.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.84 30.92 4.57 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.608 -0.682 . . . . 0.0 111.983 176.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -107.68 -51.83 2.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 111.081 173.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 t 65.61 20.02 11.54 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -174.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 91.16 -37.39 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.911 1.284 . . . . 0.0 111.325 172.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.49 39.89 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.591 -0.693 . . . . 0.0 111.307 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.543 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.141 0 CA-C-O 122.03 0.919 . . . . 0.0 110.922 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.909 0.861 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -53.73 -171.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.553 1 C-N-CA 126.389 4.726 . . . . 0.0 114.766 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.671 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 20.7 t70 -54.78 99.26 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.854 0.835 . . . . 0.0 110.909 172.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.53 36.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.762 0.791 . . . . 0.0 111.069 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -107.65 -38.05 5.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.869 0.842 . . . . 0.0 110.89 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -129.49 36.49 4.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.762 0.792 . . . . 0.0 111.029 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -88.62 -23.59 23.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.616 0.722 . . . . 0.0 112.143 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.41 -32.56 74.02 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.682 0.753 . . . . 0.0 110.975 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.15 -39.45 63.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.825 0.821 . . . . 0.0 111.025 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -56.61 -38.35 71.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.909 0.861 . . . . 0.0 110.953 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -85.26 -85.94 0.14 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.913 0.863 . . . . 0.0 111.001 175.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.09 -87.63 0.02 OUTLIER 'General case' 0 C--O 1.242 0.688 0 O-C-N 121.931 -0.481 . . . . 0.0 110.714 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -46.97 -79.38 0.01 OUTLIER 'General case' 0 C--O 1.243 0.716 0 O-C-N 121.465 -0.772 . . . . 0.0 112.436 172.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -43.73 -19.91 0.02 OUTLIER 'General case' 0 C--O 1.26 1.605 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 -175.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.669 ' HA2' HD23 ' A' ' 18' ' ' LEU . . . -84.4 -44.09 6.7 Favored Glycine 0 C--N 1.316 -0.533 0 CA-C-N 120.564 1.529 . . . . 0.0 111.174 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -45.44 -38.11 5.78 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.777 -0.837 . . . . 0.0 111.792 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 m -65.52 -44.85 85.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.802 0.81 . . . . 0.0 111.162 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.669 HD23 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -73.75 -11.03 60.26 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 175.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -93.28 22.2 5.38 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.32 -0.863 . . . . 0.0 112.134 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -118.38 -34.96 3.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 122.235 1.017 . . . . 0.0 110.459 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -78.59 -41.92 30.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.65 0.738 . . . . 0.0 110.99 172.104 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -45.64 -25.95 0.54 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.881 0.848 . . . . 0.0 110.866 172.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -88.37 132.13 34.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.156 170.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' ARG . 5.6 mt-10 89.37 -30.36 0.03 OUTLIER 'General case' 0 C--O 1.245 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 111.102 -172.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -87.92 -21.74 24.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.491 0.662 . . . . 0.0 110.883 170.638 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -65.04 -28.67 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.613 0.721 . . . . 0.0 111.323 174.001 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.81 78.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.0 0.905 . . . . 0.0 111.124 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.71 -30.3 71.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.444 0.64 . . . . 0.0 111.961 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -33.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.799 0.809 . . . . 0.0 111.077 -172.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -32.91 69.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.651 0.738 . . . . 0.0 111.25 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.11 40.76 1.07 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.394 0.616 . . . . 0.0 111.668 -174.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 t -172.47 45.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.774 0.797 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.76 23.42 7.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.431 0.634 . . . . 0.0 111.867 -173.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.096 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -59.68 -37.85 79.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.859 0.838 . . . . 0.0 111.086 -174.346 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 56.73 25.11 9.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.716 0.769 . . . . 0.0 110.884 -171.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.096 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -75.43 -48.75 21.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.326 1.06 . . . . 0.0 110.527 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.52 -47.94 0.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.692 0.758 . . . . 0.0 111.054 172.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.011 0.91 . . . . 0.0 110.928 -175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 CA-C-O 121.97 0.891 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.609 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 88.1 Cg_exo -54.02 -162.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.465 1 C-N-CA 126.481 4.788 . . . . 0.0 114.947 176.054 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 4' ' ' VAL . 13.6 t70 -53.68 -26.11 21.25 Favored 'General case' 0 C--O 1.244 0.805 0 O-C-N 121.812 -0.555 . . . . 0.0 112.369 177.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 5' ' ' SER . 3.6 p 48.73 71.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 123.462 1.601 . . . . 0.0 110.53 -172.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 9.2 t 163.54 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.566 1.174 . . . . 0.0 110.242 -171.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 p -149.57 47.72 0.95 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.791 0.805 . . . . 0.0 110.849 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 2' ' ' PRO . . . -103.83 -24.14 13.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.031 0.919 . . . . 0.0 111.594 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 8' ' ' LEU . 1.5 tm? -72.63 -25.22 61.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 172.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -52.64 -37.87 59.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.838 0.827 . . . . 0.0 110.963 172.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.49 88.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.769 0.795 . . . . 0.0 110.966 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -100.84 13.58 34.56 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.321 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -46.84 -76.06 0.03 OUTLIER 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.406 -0.808 . . . . 0.0 111.069 172.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -36.34 -70.16 0.09 Allowed 'General case' 0 C--O 1.244 0.785 0 O-C-N 120.751 -1.218 . . . . 0.0 113.657 170.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' HB3' HD12 ' A' ' 11' ' ' LEU . 50.6 t80 -46.5 -16.36 0.03 OUTLIER 'General case' 0 C--O 1.26 1.624 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -171.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.38 -41.14 2.83 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 120.794 1.634 . . . . 0.0 111.163 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -50.39 -32.39 17.42 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.882 -0.776 . . . . 0.0 111.475 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -60.06 -39.74 87.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.682 0.753 . . . . 0.0 111.17 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 4.5 mt -64.74 -35.87 82.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.687 0.756 . . . . 0.0 111.031 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.19 26.34 4.84 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.146 0.498 . . . . 0.0 112.328 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -134.91 -48.24 0.74 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.745 0.783 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.11 -20.63 55.39 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.766 -0.584 . . . . 0.0 111.726 175.181 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -87.47 -32.75 19.31 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 111.623 172.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HD2' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.31 -26.3 46.88 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.699 -0.626 . . . . 0.0 111.68 -172.172 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG3' ' HD2' ' A' ' 23' ' ' ARG . 15.3 mt-10 -79.88 -43.69 21.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.117 0.961 . . . . 0.0 110.565 171.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -22.19 66.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.322 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mt -69.49 -28.14 36.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.557 0.694 . . . . 0.0 111.625 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 t -75.72 -30.29 59.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.943 0.878 . . . . 0.0 110.801 172.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -68.99 -24.96 64.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.358 0.599 . . . . 0.0 111.56 171.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -35.08 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.037 0.922 . . . . 0.0 110.816 -176.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.82 -38.46 79.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.897 0.856 . . . . 0.0 110.959 179.331 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -90.92 45.99 1.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.638 0.732 . . . . 0.0 111.461 176.105 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -170.83 57.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.807 0.813 . . . . 0.0 111.04 -174.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.89 31.13 5.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.531 0.682 . . . . 0.0 111.895 -172.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD23 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -107.63 -50.17 3.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.958 0.885 . . . . 0.0 110.901 172.537 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.56 ' HB3' ' HB2' ' A' ' 38' ' ' MET . 0.2 OUTLIER 52.98 37.23 24.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.801 0.81 . . . . 0.0 111.187 -173.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 62.22 56.18 2.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.895 0.855 . . . . 0.0 111.114 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt 70.88 36.42 1.5 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.724 0.773 . . . . 0.0 111.346 172.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.56 ' HB2' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.128 0 CA-C-O 122.013 0.911 . . . . 0.0 110.948 172.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.868 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 121.576 0.703 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 1' ' ' THR . 77.1 Cg_exo -56.41 -157.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.601 1 C-N-CA 126.232 4.621 . . . . 0.0 114.272 174.492 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.04 89.58 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.79 0.805 . . . . 0.0 110.758 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 5' ' ' SER . 2.8 p -75.07 88.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.077 0.941 . . . . 0.0 111.101 -172.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER 163.2 -46.87 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.315 1.055 . . . . 0.0 110.342 -172.188 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.97 49.84 2.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.989 0.899 . . . . 0.0 110.807 172.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.21 -24.81 11.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.051 0.929 . . . . 0.0 111.543 174.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.03 -27.7 63.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.658 0.742 . . . . 0.0 110.992 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.05 -36.25 62.88 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.738 -0.601 . . . . 0.0 111.368 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -48.58 -44.82 37.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.937 0.875 . . . . 0.0 110.739 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.805 HD22 ' CD2' ' A' ' 14' ' ' PHE . 71.0 mt -74.18 -89.59 0.03 OUTLIER 'General case' 0 C--O 1.246 0.898 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.605 172.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.6 OUTLIER 57.44 -86.99 0.02 OUTLIER 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.424 -0.798 . . . . 0.0 110.21 -172.364 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -40.47 -60.85 1.02 Allowed 'General case' 0 C--O 1.249 1.037 0 O-C-N 120.823 -1.173 . . . . 0.0 113.998 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.805 ' CD2' HD22 ' A' ' 11' ' ' LEU . 3.6 t80 -43.23 -19.03 0.02 OUTLIER 'General case' 0 C--O 1.259 1.6 0 O-C-N 120.292 -1.505 . . . . 0.0 114.751 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.79 -36.13 3.07 Favored Glycine 0 C--N 1.317 -0.528 0 CA-C-N 120.896 1.68 . . . . 0.0 110.981 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -47.17 -46.27 23.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.023 0.916 . . . . 0.0 111.192 172.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.629 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 91.4 m -74.14 -38.36 63.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.634 0.731 . . . . 0.0 111.562 -172.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -17.09 60.99 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.8 19.92 6.09 Favored 'General case' 0 C--O 1.245 0.845 0 O-C-N 121.337 -0.852 . . . . 0.0 112.583 174.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -123.17 -41.38 2.32 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.803 0.811 . . . . 0.0 110.817 171.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.629 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -84.73 -29.7 25.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.651 0.738 . . . . 0.0 111.387 -177.527 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -65.1 -24.11 67.34 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 121.184 0.516 . . . . 0.0 111.874 172.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -49.74 65.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.945 0.879 . . . . 0.0 111.221 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.84 -39.34 35.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.023 0.916 . . . . 0.0 110.917 -175.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.285 0.564 . . . . 0.0 111.555 172.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.3 mt -68.2 -31.11 50.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.789 0.804 . . . . 0.0 111.181 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -60.35 -35.66 76.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.906 0.86 . . . . 0.0 110.919 172.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -73.56 -30.15 62.87 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.396 0.617 . . . . 0.0 111.938 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -68.65 -32.66 55.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.068 0.937 . . . . 0.0 110.651 -172.729 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -49.94 -40.7 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.856 0.836 . . . . 0.0 111.084 172.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.563 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -91.84 44.67 1.18 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.503 0.668 . . . . 0.0 111.567 179.681 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.97 48.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.882 0.849 . . . . 0.0 111.191 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.34 29.93 7.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.746 -172.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.51 -81.42 0.42 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.645 1.212 . . . . 0.0 110.72 173.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.588 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER 96.51 16.34 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.925 1.69 . . . . 0.0 111.373 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 86.45 -20.4 0.24 Allowed 'General case' 0 C--O 1.246 0.882 0 C-N-CA 124.427 1.091 . . . . 0.0 112.397 171.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.41 -13.45 17.27 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.328 -0.858 . . . . 0.0 111.977 172.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.192 0 CA-C-O 121.929 0.871 . . . . 0.0 110.389 172.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.416 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.795 0 CA-C-O 121.883 0.849 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 1' ' ' THR . 84.0 Cg_exo -54.52 -157.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.528 1 C-N-CA 126.679 4.92 . . . . 0.0 114.993 175.103 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.8 101.28 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.005 0.907 . . . . 0.0 111.798 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 p -107.13 35.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -38.15 7.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.889 0.852 . . . . 0.0 110.96 173.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -125.93 46.96 2.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.821 0.82 . . . . 0.0 110.984 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.83 -24.05 14.1 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.688 0.756 . . . . 0.0 112.132 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -69.7 -28.85 66.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.848 0.832 . . . . 0.0 110.909 172.557 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.65 -42.42 88.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.829 0.824 . . . . 0.0 110.984 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -36.03 64.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.925 0.869 . . . . 0.0 110.945 -173.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.754 ' CD1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -96.62 -80.58 0.43 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.894 0.854 . . . . 0.0 111.12 174.515 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 -95.09 0.05 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.309 -172.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.32 -0.863 . . . . 0.0 113.04 171.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.754 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 12.7 t80 -45.99 -10.69 0.02 OUTLIER 'General case' 0 C--O 1.258 1.521 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.53 -45.62 4.88 Favored Glycine 0 N--CA 1.464 0.55 0 CA-C-N 120.463 1.483 . . . . 0.0 111.915 172.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.01 -52.23 20.74 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.649 -0.912 . . . . 0.0 111.451 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -63.92 -30.27 71.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.344 0.593 . . . . 0.0 111.615 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -75.52 -24.75 56.84 Favored 'General case' 0 C--O 1.244 0.768 0 O-C-N 121.789 -0.569 . . . . 0.0 112.228 -174.197 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.35 -41.62 47.58 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.618 0.723 . . . . 0.0 111.526 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HA ' ' HG3' ' A' ' 23' ' ' ARG . 10.7 t0 -75.02 -15.82 60.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.058 0.456 . . . . 0.0 111.842 173.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -74.48 -51.75 13.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.897 0.856 . . . . 0.0 111.6 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -67.88 -21.66 65.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.384 0.611 . . . . 0.0 111.75 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.513 ' HG3' ' HA ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -56.98 -75.33 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.997 0.903 . . . . 0.0 111.907 172.376 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 27' ' ' SER . 70.6 tt0 -52.17 -49.22 64.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.954 0.883 . . . . 0.0 112.26 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -26.74 67.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.75 -0.594 . . . . 0.0 111.494 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -68.37 -35.7 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.036 0.922 . . . . 0.0 111.224 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 13.3 t -60.07 -29.61 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.615 0.721 . . . . 0.0 111.213 172.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -80.75 -29.03 36.29 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.422 0.63 . . . . 0.0 111.973 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.99 49.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.929 0.871 . . . . 0.0 110.776 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.02 74.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.815 0.817 . . . . 0.0 111.019 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.67 51.12 1.81 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.738 0.78 . . . . 0.0 111.402 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -166.15 34.3 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 110.959 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.68 30.15 6.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.446 0.641 . . . . 0.0 111.708 -175.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -113.07 -39.85 4.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.885 0.85 . . . . 0.0 111.033 176.407 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.59 ' HB3' ' HB2' ' A' ' 38' ' ' MET . 0.2 OUTLIER 49.86 36.79 12.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.73 0.776 . . . . 0.0 111.059 -172.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.98 57.02 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.869 0.843 . . . . 0.0 110.939 172.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tttt 60.55 37.54 19.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.776 0.798 . . . . 0.0 111.036 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.59 ' HB2' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.171 0 CA-C-O 121.997 0.903 . . . . 0.0 110.98 173.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 121.938 0.875 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.9 -165.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.456 4.771 . . . . 0.0 114.795 176.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.706 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 48.3 t0 -51.47 99.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.865 0.841 . . . . 0.0 110.968 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 p -95.56 -25.96 4.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.531 0.682 . . . . 0.0 111.545 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -55.07 -55.5 30.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.856 0.836 . . . . 0.0 110.941 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.07 35.16 2.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.636 0.731 . . . . 0.0 111.348 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -98.91 -19.35 17.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.469 0.652 . . . . 0.0 112.333 172.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 8' ' ' LEU . 1.2 tm? -75.91 -29.22 58.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.831 0.824 . . . . 0.0 110.966 172.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -48.32 -44.55 34.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.779 0.8 . . . . 0.0 111.04 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.13 -38.96 68.89 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.949 0.88 . . . . 0.0 110.965 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.56 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -71.28 -76.47 0.11 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.646 0.736 . . . . 0.0 110.83 177.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 21.94 57.03 0.02 OUTLIER 'General case' 0 C--O 1.246 0.873 0 C-N-CA 124.987 1.315 . . . . 0.0 113.75 -171.511 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.1 tp10 168.8 -81.3 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.027 -1.045 . . . . 0.0 110.175 -172.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -45.36 -24.75 0.32 Allowed 'General case' 0 C--O 1.26 1.631 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 168.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.47 -29.39 7.07 Favored Glycine 0 C--N 1.315 -0.584 0 CA-C-N 120.411 1.459 . . . . 0.0 110.764 -172.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -58.01 -34.89 70.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.82 0.819 . . . . 0.0 110.889 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.8 m -64.35 -29.35 70.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.256 0.551 . . . . 0.0 111.679 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.64 -45.94 49.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.822 0.82 . . . . 0.0 111.252 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -22.58 64.11 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.223 0.535 . . . . 0.0 111.922 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.75 -17.74 26.16 Favored 'General case' 0 C--O 1.246 0.873 0 O-C-N 121.552 -0.718 . . . . 0.0 112.456 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.66 57.07 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.36 -0.838 . . . . 0.0 111.622 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -83.89 -32.22 25.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.574 0.702 . . . . 0.0 111.481 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -59.23 2.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.924 0.869 . . . . 0.0 111.089 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.07 -47.92 79.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.773 0.796 . . . . 0.0 111.963 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -30.27 61.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.378 0.609 . . . . 0.0 111.444 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.14 -33.39 58.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.058 0.932 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 t -61.74 -29.24 69.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.591 0.71 . . . . 0.0 111.332 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -81.38 -28.3 34.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.397 0.618 . . . . 0.0 111.94 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -33.26 23.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.882 0.849 . . . . 0.0 111.109 -172.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -76.13 -35.23 59.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.88 0.848 . . . . 0.0 111.333 -172.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 30.85 1.42 Allowed 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.878 -0.514 . . . . 0.0 112.356 -172.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -167.95 30.59 0.03 OUTLIER 'General case' 0 C--O 1.245 0.844 0 O-C-N 121.77 -0.581 . . . . 0.0 112.224 176.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.45 22.96 2.73 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 34' ' ' LEU . 2.1 pt? -84.28 -45.16 13.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 172.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.47 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -154.71 29.16 0.43 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 123.86 1.79 . . . . 0.0 108.386 176.002 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 32' ' ' SER . . . -52.16 -64.02 0.95 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 113.547 -1.66 . . . . 0.0 111.396 -166.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.39 -7.06 5.82 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.416 172.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.16 0 O-C-N 121.17 -0.956 . . . . 0.0 111.015 -171.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 121.934 0.873 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.55 -161.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.521 1 C-N-CA 126.459 4.773 . . . . 0.0 114.853 176.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -50.47 105.31 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.916 0.865 . . . . 0.0 111.021 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.5 p -98.47 37.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.782 0.801 . . . . 0.0 111.056 178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -108.48 -32.81 7.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.859 0.838 . . . . 0.0 111.005 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -125.68 36.36 4.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.819 0.819 . . . . 0.0 111.065 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.52 -22.1 15.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.789 0.805 . . . . 0.0 112.149 172.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 8' ' ' LEU . 10.1 tt -70.94 -28.6 64.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.643 0.735 . . . . 0.0 111.264 172.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.22 -38.53 58.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.548 0.69 . . . . 0.0 111.106 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.33 -40.72 62.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.872 0.844 . . . . 0.0 110.924 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.65 HD22 ' CD2' ' A' ' 14' ' ' PHE . 74.9 mt -70.29 -95.59 0.01 OUTLIER 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 173.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.74 -87.5 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.614 -0.679 . . . . 0.0 111.492 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -39.55 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.483 -0.761 . . . . 0.0 112.841 173.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.65 ' CD2' HD22 ' A' ' 11' ' ' LEU . 2.1 t80 -42.35 -23.6 0.04 OUTLIER 'General case' 0 C--O 1.258 1.505 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -173.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.83 -43.3 6.46 Favored Glycine 0 C--N 1.317 -0.505 0 CA-C-N 120.141 1.337 . . . . 0.0 110.795 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -35.27 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.866 -0.785 . . . . 0.0 111.241 172.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -55.63 -46.79 77.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.925 0.869 . . . . 0.0 110.929 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 18' ' ' LEU . 1.1 mt -61.71 -36.49 81.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.852 0.834 . . . . 0.0 110.988 177.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG3' HH11 ' A' ' 23' ' ' ARG . 2.9 tp10 -95.84 31.83 2.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.561 0.696 . . . . 0.0 111.943 -175.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.84 -49.32 1.04 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.951 0.881 . . . . 0.0 111.025 172.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -22.97 24.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.419 0.628 . . . . 0.0 111.51 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -74.98 -18.03 60.44 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.695 -0.628 . . . . 0.0 111.978 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -59.51 -43.71 93.32 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.467 -0.771 . . . . 0.0 111.241 172.432 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.0 -41.59 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.909 0.862 . . . . 0.0 111.146 -172.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -64.66 -23.88 67.4 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.272 0.558 . . . . 0.0 111.693 174.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.598 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.9 mt -66.79 -26.84 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.265 177.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -64.77 -37.78 88.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.928 0.87 . . . . 0.0 110.916 172.633 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.56 -30.06 68.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.352 0.596 . . . . 0.0 111.709 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 HD21 ' A' ' 25' ' ' LEU . 1.6 mt -68.74 -39.81 80.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.926 0.869 . . . . 0.0 110.738 -173.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -57.06 -31.82 65.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.498 0.666 . . . . 0.0 111.444 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.31 28.17 1.5 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 36.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 111.842 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.75 22.42 3.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.41 0.624 . . . . 0.0 112.082 173.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.095 HD12 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -61.23 -35.17 76.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.692 0.758 . . . . 0.0 111.476 -172.616 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.62 26.58 5.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.261 1.029 . . . . 0.0 110.282 -170.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.095 ' HB3' HD12 ' A' ' 34' ' ' LEU . . . -108.1 36.54 2.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.909 0.862 . . . . 0.0 111.021 -172.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 58.68 4.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.975 0.893 . . . . 0.0 110.935 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.678 ' HG3' HD21 ' A' ' 34' ' ' LEU . 1.7 tmm? . . . . . 0 C--O 1.27 2.149 0 CA-C-O 122.016 0.912 . . . . 0.0 111.009 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.828 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.379 0.609 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 1' ' ' THR . 63.2 Cg_exo -57.4 -151.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.531 3.705 1 C-N-CA 126.28 4.653 . . . . 0.0 114.259 174.405 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.55 -56.72 2.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.102 0.954 . . . . 0.0 111.127 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p 48.44 26.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.991 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.42 -49.59 1.18 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.94 0.876 . . . . 0.0 110.685 -175.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -100.48 31.67 3.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.721 0.772 . . . . 0.0 110.921 172.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.36 -22.57 17.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.87 0.843 . . . . 0.0 112.026 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -78.46 -27.89 46.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.741 0.782 . . . . 0.0 110.989 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -48.93 -40.39 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 172.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -53.12 -40.01 63.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.813 0.816 . . . . 0.0 110.961 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD22 ' CD2' ' A' ' 14' ' ' PHE . 87.8 mt -77.1 -94.94 0.03 OUTLIER 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.586 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.85 -88.53 0.02 OUTLIER 'General case' 0 C--O 1.243 0.752 0 O-C-N 121.453 -0.779 . . . . 0.0 111.274 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -72.72 0.06 Allowed 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 172.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 1.033 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -33.95 -35.87 0.03 OUTLIER 'General case' 0 C--O 1.251 1.18 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -178.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.41 -42.01 10.87 Favored Glycine 0 C--N 1.318 -0.448 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -43.53 -37.61 2.55 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.807 -0.82 . . . . 0.0 111.596 171.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -66.82 -42.12 86.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.873 0.844 . . . . 0.0 110.912 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.0 mt -60.22 -32.27 70.96 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.53 0.681 . . . . 0.0 111.237 172.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.54 31.11 2.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.439 0.638 . . . . 0.0 111.882 -173.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -139.81 -45.46 0.44 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.833 0.825 . . . . 0.0 110.975 172.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -12.63 36.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -88.11 -4.98 58.69 Favored 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.399 -0.813 . . . . 0.0 112.657 172.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -67.91 -47.38 68.95 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.319 -0.863 . . . . 0.0 111.173 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.04 -41.83 70.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 110.955 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -72.16 -22.34 61.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.339 0.59 . . . . 0.0 111.688 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.57 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.4 mt -60.06 -26.1 35.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.534 0.683 . . . . 0.0 111.448 172.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.85 91.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.987 0.898 . . . . 0.0 110.697 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -65.14 -29.31 70.14 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.388 0.613 . . . . 0.0 111.679 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.2 mt -70.5 -37.82 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.258 1.028 . . . . 0.0 110.621 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.87 63.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.946 0.879 . . . . 0.0 111.046 172.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.02 35.05 1.3 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.546 0.688 . . . . 0.0 111.783 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -173.42 60.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.757 0.789 . . . . 0.0 110.939 175.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -124.44 30.16 6.1 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 121.846 -0.534 . . . . 0.0 112.345 -172.045 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.047 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -115.84 -40.67 3.3 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.612 -0.68 . . . . 0.0 111.58 172.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 53.76 27.89 7.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.744 1.259 . . . . 0.0 109.726 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.047 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -72.64 -65.96 0.72 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 122.264 1.031 . . . . 0.0 110.9 -171.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.1 34.0 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.728 0.775 . . . . 0.0 110.89 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.2 0 CA-C-O 121.975 0.893 . . . . 0.0 110.63 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.782 HG22 ' HB3' ' A' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.729 0 CA-C-O 122.025 0.917 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -57.37 -157.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.543 1 C-N-CA 126.333 4.689 . . . . 0.0 114.215 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.32 -14.83 29.96 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.887 -0.508 . . . . 0.0 112.167 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.23 45.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.334 -0.854 . . . . 0.0 112.122 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.782 ' HB3' HG22 ' A' ' 1' ' ' THR . 0.0 OUTLIER -90.66 -39.54 12.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 173.752 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -119.06 41.65 3.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.881 0.848 . . . . 0.0 111.06 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.96 -23.16 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 112.064 172.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.866 HD11 ' NZ ' ' A' ' 12' ' ' LYS . 2.2 tm? -66.86 -30.84 71.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.775 0.798 . . . . 0.0 111.117 172.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -54.63 -33.35 60.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.64 0.733 . . . . 0.0 111.252 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -70.25 -34.49 72.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.86 0.838 . . . . 0.0 110.866 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -106.22 34.69 3.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.605 0.717 . . . . 0.0 111.136 172.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.866 ' NZ ' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.67 -76.3 0.02 OUTLIER 'General case' 0 C--O 1.248 0.99 0 CA-C-O 121.253 0.549 . . . . 0.0 111.879 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -39.21 -71.92 0.07 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 120.844 -1.16 . . . . 0.0 113.48 171.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -38.54 -27.6 0.02 OUTLIER 'General case' 0 C--O 1.255 1.391 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.425 ' O ' HD23 ' A' ' 18' ' ' LEU . . . -79.0 -47.55 7.55 Favored Glycine 0 C--N 1.317 -0.501 0 O-C-N 120.809 -1.182 . . . . 0.0 110.681 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -41.38 -47.08 3.5 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.735 -0.862 . . . . 0.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 2.8 m -56.78 -48.11 78.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.543 0.687 . . . . 0.0 111.541 -172.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -74.54 -24.82 59.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.644 -172.787 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -85.21 11.45 9.93 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -114.22 -46.92 2.96 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.82 0.819 . . . . 0.0 111.082 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.43 -24.05 60.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.542 0.686 . . . . 0.0 111.556 178.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.66 74.04 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.421 0.629 . . . . 0.0 111.582 173.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -47.6 60.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.698 0.761 . . . . 0.0 111.242 -172.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.62 -37.26 42.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.999 0.904 . . . . 0.0 110.822 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -27.6 64.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.426 0.631 . . . . 0.0 111.389 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.476 HG23 ' HE2' ' A' ' 30' ' ' LYS . 1.2 mt -66.9 -31.82 55.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.786 0.803 . . . . 0.0 111.106 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -32.34 73.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.08 0.943 . . . . 0.0 110.844 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -71.1 -27.5 63.64 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.163 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -29.78 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.952 0.882 . . . . 0.0 111.031 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.29 -36.94 64.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 111.001 172.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -93.02 45.81 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.524 0.678 . . . . 0.0 111.617 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p 179.08 56.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.828 0.823 . . . . 0.0 111.124 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -112.44 27.88 9.26 Favored 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.621 -0.675 . . . . 0.0 112.291 -172.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.05 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.77 -39.13 2.55 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.463 -0.773 . . . . 0.0 111.984 172.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.17 25.44 10.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.172 0.987 . . . . 0.0 110.218 -170.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.05 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -64.72 -63.86 1.01 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.066 0.936 . . . . 0.0 110.83 -172.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -152.14 31.42 0.54 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.952 0.882 . . . . 0.0 110.719 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 121.945 0.878 . . . . 0.0 110.803 -172.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.913 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 121.804 0.811 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' A' ' 1' ' ' THR . 71.2 Cg_exo -55.39 -157.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.555 1 C-N-CA 126.469 4.779 . . . . 0.0 114.732 174.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 4' ' ' VAL . 20.2 t0 -44.8 -34.25 2.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.553 0.692 . . . . 0.0 111.325 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 3' ' ' ASP . 1.4 p 48.83 33.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.726 0.774 . . . . 0.0 111.294 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -140.0 -41.96 0.43 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.061 0.934 . . . . 0.0 110.67 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -112.26 32.33 5.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.804 0.812 . . . . 0.0 110.861 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.24 -21.9 25.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.831 0.824 . . . . 0.0 112.041 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -29.69 66.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.915 0.864 . . . . 0.0 110.905 172.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -56.1 -33.0 64.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.891 0.853 . . . . 0.0 110.883 172.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -73.96 -35.05 64.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.68 0.752 . . . . 0.0 110.972 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.798 ' CD1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -98.15 36.93 1.5 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.397 1.094 . . . . 0.0 111.299 -178.635 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 56.24 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.991 0.901 . . . . 0.0 109.942 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 178.46 -83.55 0.0 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.361 -170.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.798 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 2.0 t80 -40.64 -24.32 0.02 OUTLIER 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.28 -39.28 6.89 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-N 120.293 1.406 . . . . 0.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -52.3 -29.33 22.8 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.792 -0.828 . . . . 0.0 111.716 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 54.2 m -64.99 -34.82 79.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.914 0.864 . . . . 0.0 111.059 -174.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 18' ' ' LEU . 1.3 mt -64.28 -27.87 69.34 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.355 0.598 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.522 0.677 . . . . 0.0 112.093 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -134.86 -56.54 0.82 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.271 1.034 . . . . 0.0 110.919 172.38 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.88 -24.57 59.75 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.693 -0.629 . . . . 0.0 111.935 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -70.24 -21.89 62.95 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.532 -0.73 . . . . 0.0 111.558 174.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -58.71 -43.72 90.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.67 0.748 . . . . 0.0 111.039 172.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.32 -41.33 40.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.879 0.847 . . . . 0.0 111.031 -172.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.64 -23.62 67.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.266 0.555 . . . . 0.0 111.837 174.191 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.88 -30.96 43.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.597 0.713 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -32.87 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.302 1.049 . . . . 0.0 110.521 172.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -70.8 -29.82 66.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.663 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.78 -33.44 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.063 0.935 . . . . 0.0 110.603 -173.492 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -56.14 -34.15 65.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.731 0.777 . . . . 0.0 111.072 173.338 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 45.14 1.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.577 0.703 . . . . 0.0 111.548 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 40.92 0.14 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.128 0.966 . . . . 0.0 110.7 172.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.41 29.87 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.13 0.967 . . . . 0.0 111.447 -172.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.6 pt? -65.7 -12.24 51.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 87.27 26.96 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 122.249 1.023 . . . . 0.0 110.175 -172.502 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 67.42 78.18 0.25 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.932 0.872 . . . . 0.0 110.987 170.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' H ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 53.3 34.41 17.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.625 0.726 . . . . 0.0 111.331 179.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.156 0 CA-C-O 121.969 0.89 . . . . 0.0 110.663 172.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.214 -0.765 0 CA-C-O 121.974 0.892 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.63 -155.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.603 1 C-N-CA 126.587 4.858 . . . . 0.0 114.65 175.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 6' ' ' SER . 24.2 t70 -43.31 99.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.09 0.947 . . . . 0.0 111.64 172.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' A' ' 5' ' ' SER . 9.5 p -90.55 153.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.531 0.681 . . . . 0.0 110.592 172.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.739 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 2.0 m 91.89 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.235 1.014 . . . . 0.0 110.795 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.536 ' HB2' ' OD2' ' A' ' 3' ' ' ASP . 22.8 m -110.48 29.15 7.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.787 0.803 . . . . 0.0 110.839 171.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.67 -24.44 10.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.901 0.858 . . . . 0.0 111.962 -175.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.04 -19.93 56.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.424 0.63 . . . . 0.0 111.757 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -49.01 -40.85 32.45 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.572 -0.705 . . . . 0.0 111.344 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -33.18 73.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.711 0.767 . . . . 0.0 110.85 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 16.92 13.92 Favored 'General case' 0 C--O 1.25 1.125 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -69.21 154.72 41.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.108 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 4.6 tp10 76.11 -68.75 0.18 Allowed 'General case' 0 C--N 1.316 -0.853 0 O-C-N 120.736 -1.227 . . . . 0.0 110.288 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -35.3 -31.64 0.02 OUTLIER 'General case' 0 C--O 1.256 1.399 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 171.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.84 -51.35 3.43 Favored Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.82 -1.175 . . . . 0.0 111.036 -174.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.13 -36.32 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.002 0.906 . . . . 0.0 111.982 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.67 0.748 . . . . 0.0 111.388 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.417 0.627 . . . . 0.0 111.55 176.38 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.4 32.07 2.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.577 0.703 . . . . 0.0 112.052 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -136.75 -48.72 0.63 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.88 0.847 . . . . 0.0 111.119 172.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -81.15 -20.19 41.83 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.373 0.606 . . . . 0.0 111.78 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -72.58 -23.11 60.92 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.536 -0.727 . . . . 0.0 111.923 172.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.15 86.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.576 -0.703 . . . . 0.0 111.451 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -80.82 -39.62 26.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.998 0.904 . . . . 0.0 110.933 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.45 -21.32 62.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.29 0.567 . . . . 0.0 112.111 172.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.2 mt -70.32 -35.19 61.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.635 0.731 . . . . 0.0 111.4 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -31.44 72.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.144 0.973 . . . . 0.0 110.752 172.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.02 -30.51 66.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.391 0.615 . . . . 0.0 111.81 172.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -33.72 41.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.981 0.896 . . . . 0.0 110.886 -172.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -40.81 80.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.81 0.814 . . . . 0.0 111.168 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.34 38.18 1.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.542 0.687 . . . . 0.0 111.693 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' HD23 ' A' ' 34' ' ' LEU . 1.6 t -164.09 -89.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.765 1.269 . . . . 0.0 110.184 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.67 24.64 5.41 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.384 169.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD23 ' OG ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -92.69 -35.84 13.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.009 0.909 . . . . 0.0 110.696 172.167 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.607 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.4 OUTLIER 69.82 11.99 7.88 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 172.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 85.66 -28.61 0.07 Allowed 'General case' 0 C--O 1.246 0.92 0 C-N-CA 124.034 0.934 . . . . 0.0 112.491 172.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -27.93 8.78 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.246 -0.909 . . . . 0.0 110.867 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.196 0 CA-C-O 121.982 0.896 . . . . 0.0 110.983 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.905 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 121.637 0.732 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.905 ' HD2' HG22 ' A' ' 1' ' ' THR . 73.2 Cg_exo -55.16 -157.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.429 4.753 . . . . 0.0 114.818 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' HG12 ' A' ' 4' ' ' VAL . 22.8 t0 -44.21 -39.09 4.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.644 0.735 . . . . 0.0 111.338 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 3' ' ' ASP . 1.4 p 49.97 29.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.832 0.825 . . . . 0.0 111.413 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.63 -45.6 0.45 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.987 0.899 . . . . 0.0 110.793 -174.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 30.04 5.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.588 0.709 . . . . 0.0 110.987 172.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.23 -27.39 18.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.441 1.115 . . . . 0.0 111.455 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -40.39 69.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.406 1.098 . . . . 0.0 111.64 171.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -53.18 -39.91 63.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.526 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -66.48 -35.75 81.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.743 0.782 . . . . 0.0 110.95 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HB3' ' HD2' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -101.61 23.45 11.18 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.623 -0.673 . . . . 0.0 111.675 171.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -36.57 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 171.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 2.5 t80 -41.38 -27.19 0.08 Allowed 'General case' 0 C--O 1.256 1.403 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.61 ' HA2' HD23 ' A' ' 18' ' ' LEU . . . -89.3 -38.34 6.76 Favored Glycine 0 C--N 1.316 -0.53 0 O-C-N 120.717 -1.24 . . . . 0.0 110.653 -174.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -52.0 -41.61 62.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.9 0.857 . . . . 0.0 110.918 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.7 HG22 ' HD3' ' A' ' 21' ' ' LYS . 12.5 m -70.04 -35.81 74.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.921 0.867 . . . . 0.0 111.008 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -69.22 -17.58 63.8 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 176.282 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.66 ' HG2' ' NH1' ' A' ' 23' ' ' ARG . 4.7 tt0 -101.78 30.95 4.07 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.533 -0.73 . . . . 0.0 111.996 177.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -137.02 -43.9 0.57 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.991 0.9 . . . . 0.0 110.812 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.7 ' HD3' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.62 -26.19 60.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.68 0.752 . . . . 0.0 111.108 172.42 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.863 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -89.53 24.53 2.25 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 172.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.66 ' NH1' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -112.21 -32.66 6.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.001 0.905 . . . . 0.0 110.724 171.5 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -91.49 -38.9 12.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.608 0.718 . . . . 0.0 111.184 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -28.28 68.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.334 0.588 . . . . 0.0 111.488 176.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -68.44 -29.56 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.624 0.726 . . . . 0.0 111.436 179.26 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -66.81 -33.41 75.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.083 0.944 . . . . 0.0 110.882 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -28.04 63.43 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.29 0.567 . . . . 0.0 111.994 172.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -32.32 22.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.865 0.841 . . . . 0.0 111.029 -173.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -63.45 -37.59 87.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.818 0.818 . . . . 0.0 110.989 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.54 48.75 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 111.46 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.14 53.4 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.197 0.999 . . . . 0.0 110.896 172.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.92 26.76 6.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.588 0.708 . . . . 0.0 111.671 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD23 ' H ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -53.34 -39.59 64.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.807 0.813 . . . . 0.0 111.239 -173.197 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m 48.22 35.09 5.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 -172.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.93 53.04 1.47 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.874 0.845 . . . . 0.0 110.921 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttt 57.77 36.22 26.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.826 0.822 . . . . 0.0 110.955 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.179 0 CA-C-O 121.948 0.88 . . . . 0.0 110.717 178.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.651 ' CG2' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.918 0.866 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.14 -168.57 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.568 1 C-N-CA 126.363 4.709 . . . . 0.0 114.722 178.67 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.52 101.41 0.24 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.884 0.85 . . . . 0.0 110.948 173.154 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.651 HG22 ' CG2' ' A' ' 1' ' ' THR . 0.2 OUTLIER -94.15 26.58 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.163 0.506 . . . . 0.0 112.059 -178.002 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.5 -32.92 9.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.926 0.87 . . . . 0.0 110.864 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -128.64 40.0 3.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.828 0.823 . . . . 0.0 110.996 172.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.8 -25.03 24.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.778 0.799 . . . . 0.0 112.072 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 8' ' ' LEU . 3.2 tm? -75.11 -29.97 60.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.15 0.976 . . . . 0.0 110.772 172.345 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -51.22 -36.49 41.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.877 0.846 . . . . 0.0 111.24 172.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -40.42 89.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.942 0.877 . . . . 0.0 110.992 -178.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 14' ' ' PHE . 1.2 mm? -77.58 -19.61 55.36 Favored 'General case' 0 C--O 1.251 1.132 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.032 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.714 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -50.87 152.11 2.25 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.138 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.714 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.6 mt-10 73.18 -76.36 0.07 Allowed 'General case' 0 C--N 1.316 -0.888 0 O-C-N 120.618 -1.301 . . . . 0.0 110.722 -167.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.686 ' HD2' HD12 ' A' ' 11' ' ' LEU . 88.5 t80 -46.87 -12.23 0.02 OUTLIER 'General case' 0 C--O 1.259 1.597 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.26 3.18 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 120.763 1.619 . . . . 0.0 110.977 172.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -51.76 -32.37 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.97 -0.724 . . . . 0.0 111.61 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.647 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 53.6 m -61.87 -39.8 93.14 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.725 0.774 . . . . 0.0 111.13 -173.253 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.84 -30.67 71.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.664 0.745 . . . . 0.0 111.327 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -94.59 29.52 2.27 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.745 -0.597 . . . . 0.0 112.161 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -134.73 -38.95 0.8 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 111.642 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.647 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -81.43 -26.03 35.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.455 0.645 . . . . 0.0 111.396 174.732 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.14 24.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.007 0.908 . . . . 0.0 111.07 172.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -28.47 66.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.294 0.569 . . . . 0.0 111.457 175.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -83.73 -46.09 12.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.702 0.763 . . . . 0.0 111.883 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.23 -21.14 61.46 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.858 -0.526 . . . . 0.0 112.166 172.624 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.526 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -70.2 -34.79 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.74 0.781 . . . . 0.0 111.148 172.409 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -63.92 -29.38 70.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.155 0.978 . . . . 0.0 110.701 171.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -27.88 56.62 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.355 0.598 . . . . 0.0 111.917 172.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -67.45 -33.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 122.591 1.186 . . . . 0.0 110.016 -176.595 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -65.94 -30.94 71.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.164 0.983 . . . . 0.0 110.744 172.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 51.65 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.462 0.649 . . . . 0.0 111.603 172.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -171.39 41.19 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.459 0.647 . . . . 0.0 111.572 178.2 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.37 20.46 5.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.656 0.741 . . . . 0.0 112.939 -173.162 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.81 -83.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 123.159 1.457 . . . . 0.0 112.371 171.06 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.827 ' HB2' ' HB3' ' A' ' 38' ' ' MET . 1.2 m 83.01 29.87 0.09 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.949 1.357 . . . . 0.0 109.456 -169.164 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.86 65.16 1.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 122.045 0.926 . . . . 0.0 110.922 -177.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.54 32.24 16.59 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.597 0.713 . . . . 0.0 111.467 174.091 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.827 ' HB3' ' HB2' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 121.963 0.887 . . . . 0.0 110.728 172.574 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.862 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 121.543 0.687 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.862 ' HD2' HG22 ' A' ' 1' ' ' THR . 77.5 Cg_exo -56.27 -156.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.583 1 C-N-CA 126.273 4.648 . . . . 0.0 114.487 174.564 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.35 93.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.989 0.9 . . . . 0.0 110.861 172.278 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.944 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -76.74 1.91 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.952 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.791 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m -62.78 -46.54 87.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.23 1.014 . . . . 0.0 110.385 171.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 37.72 1.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.094 0.95 . . . . 0.0 110.416 171.484 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.944 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . . . -81.53 139.36 35.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.497 1.142 . . . . 0.0 110.672 172.379 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.647 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.7 OUTLIER 38.56 30.9 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.929 1.823 . . . . 0.0 112.842 -171.637 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -83.93 -41.46 17.35 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.276 173.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -46.58 -46.49 19.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.537 0.684 . . . . 0.0 111.541 177.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.863 HD22 ' HD2' ' A' ' 14' ' ' PHE . 78.1 mt -70.86 -96.34 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.952 -0.468 . . . . 0.0 110.612 178.513 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 26.34 58.74 0.07 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.301 1.04 . . . . 0.0 113.04 -171.41 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.0 tp10 168.18 -80.39 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.819 -1.176 . . . . 0.0 110.17 -170.787 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.863 ' HD2' HD22 ' A' ' 11' ' ' LEU . 44.3 t80 -47.22 -12.07 0.03 OUTLIER 'General case' 0 C--O 1.26 1.617 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 169.091 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.873 ' HA2' HD23 ' A' ' 18' ' ' LEU . . . -88.42 -44.15 5.35 Favored Glycine 0 C--N 1.315 -0.598 0 CA-C-N 120.689 1.586 . . . . 0.0 111.263 172.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -40.94 34.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.858 0.837 . . . . 0.0 111.43 179.05 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 86.6 m -71.03 -31.75 68.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.099 -173.097 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.873 HD23 ' HA2' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -69.75 -18.32 63.5 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.193 0.521 . . . . 0.0 112.065 176.449 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.34 30.39 1.71 Allowed 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.529 -0.732 . . . . 0.0 112.102 172.456 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -128.37 -39.15 1.71 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.014 0.911 . . . . 0.0 110.76 171.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -80.47 -27.86 37.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.518 0.675 . . . . 0.0 111.485 172.665 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -63.62 -26.85 68.87 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 121.841 -0.537 . . . . 0.0 111.88 174.423 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -51.01 61.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.649 -0.657 . . . . 0.0 111.343 -175.339 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.94 -40.56 60.74 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.995 0.902 . . . . 0.0 110.88 -176.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.53 -26.54 63.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 0.0 111.8 172.679 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.89 -28.83 38.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 0.0 111.104 -175.371 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -31.51 71.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 111.009 172.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -28.64 61.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.365 0.602 . . . . 0.0 112.045 174.199 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -37.16 24.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.925 0.869 . . . . 0.0 111.024 -172.448 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -57.96 -37.78 74.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.24 1.019 . . . . 0.0 110.85 -176.372 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.14 39.71 1.05 Allowed 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.2 -172.262 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 p 177.02 46.85 0.0 OUTLIER 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.386 0.612 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.87 26.75 5.23 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 178.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -128.47 -41.45 1.54 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.527 -0.733 . . . . 0.0 112.098 172.174 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m 57.5 28.81 16.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.987 1.375 . . . . 0.0 109.371 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.789 ' HB3' HD12 ' A' ' 34' ' ' LEU . . . -92.05 19.37 6.85 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.242 -171.667 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.53 27.3 0.61 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.748 0.785 . . . . 0.0 111.102 -171.763 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.446 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.156 0 CA-C-O 121.967 0.889 . . . . 0.0 111.087 -172.566 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 121.975 0.893 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 -165.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.561 1 C-N-CA 126.421 4.747 . . . . 0.0 114.774 177.597 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -52.86 99.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.894 0.854 . . . . 0.0 111.018 174.357 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -22.42 24.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.284 179.324 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 110.894 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -112.1 35.39 3.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.651 0.739 . . . . 0.0 111.336 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.92 -22.03 18.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.539 0.685 . . . . 0.0 112.373 172.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -22.71 43.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 111.748 173.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -49.59 -35.98 22.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.574 0.702 . . . . 0.0 111.389 172.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.04 -34.94 76.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.885 0.85 . . . . 0.0 110.96 -175.066 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -83.65 5.94 22.68 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.297 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -89.06 58.73 4.67 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.254 -0.904 . . . . 0.0 110.846 172.023 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.1 tp10 172.57 -82.06 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -171.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -45.19 -12.95 0.02 OUTLIER 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 168.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.26 -45.2 4.47 Favored Glycine 0 N--CA 1.465 0.601 0 CA-C-N 120.614 1.552 . . . . 0.0 111.757 172.343 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -49.59 -33.47 15.2 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.777 -0.837 . . . . 0.0 112.04 175.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 27.6 m -58.8 -36.01 73.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.631 0.729 . . . . 0.0 111.556 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.58 -41.55 96.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.895 0.855 . . . . 0.0 111.36 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.15 31.81 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.465 0.65 . . . . 0.0 112.273 -172.399 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.59 -51.49 0.22 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.124 0.964 . . . . 0.0 110.871 172.29 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.23 -35.07 66.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.646 0.736 . . . . 0.0 111.197 172.628 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -73.17 -31.69 64.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.807 0.813 . . . . 0.0 111.082 -172.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -61.62 -38.01 86.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.706 0.765 . . . . 0.0 111.096 178.5 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.36 -41.32 40.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.886 0.851 . . . . 0.0 110.976 -173.03 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.567 HD12 HH21 ' A' ' 28' ' ' ARG . 0.1 OUTLIER -66.1 -24.1 66.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.118 174.886 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.4 mt -67.37 -26.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.639 0.733 . . . . 0.0 111.048 -177.194 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -43.0 73.44 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.348 1.07 . . . . 0.0 110.272 171.534 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.567 HH21 HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.48 -31.87 56.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.546 0.689 . . . . 0.0 111.881 171.774 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -33.99 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.897 0.856 . . . . 0.0 110.829 -172.091 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.679 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.34 -40.79 78.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.997 0.903 . . . . 0.0 110.991 179.329 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.679 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.1 tt0 -92.96 36.74 1.03 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.21 0.528 . . . . 0.0 111.911 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -167.77 27.88 0.03 OUTLIER 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.746 -0.596 . . . . 0.0 112.143 -172.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -135.24 19.63 3.41 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -176.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.9 pt? -74.14 -42.61 59.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -156.44 27.32 0.34 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.216 1.96 . . . . 0.0 108.749 172.447 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.69 -69.96 0.14 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.011 -167.199 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.53 27.75 1.51 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.939 0.876 . . . . 0.0 110.638 172.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.183 0 CA-C-O 121.965 0.888 . . . . 0.0 110.756 -172.443 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 121.935 0.874 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.47 -168.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.516 1 C-N-CA 126.401 4.734 . . . . 0.0 114.817 177.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.822 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 14.2 t70 -59.57 95.76 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.897 0.856 . . . . 0.0 110.985 173.336 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.0 p -96.39 -27.75 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.529 0.681 . . . . 0.0 111.442 -172.777 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -59.28 -42.73 91.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.771 0.796 . . . . 0.0 110.959 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -114.23 36.4 3.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.738 0.78 . . . . 0.0 111.278 177.418 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.822 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -94.97 -24.46 16.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.7 0.762 . . . . 0.0 112.086 172.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.81 -34.95 76.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.808 0.813 . . . . 0.0 110.914 172.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -53.27 -38.09 62.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -176.253 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -54.02 -36.8 63.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 110.925 -173.224 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -86.19 -90.12 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 110.573 172.209 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.16 -86.62 0.02 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.962 -0.461 . . . . 0.0 111.048 -173.458 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.08 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.496 -0.753 . . . . 0.0 112.811 172.057 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.23 -24.74 0.03 OUTLIER 'General case' 0 C--O 1.257 1.47 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -175.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.02 -43.16 6.81 Favored Glycine 0 C--N 1.317 -0.525 0 CA-C-N 119.987 1.267 . . . . 0.0 110.888 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -49.38 -34.02 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.732 0.777 . . . . 0.0 111.288 174.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -64.13 -40.05 95.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.766 0.793 . . . . 0.0 111.023 -178.582 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.03 -34.73 72.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.678 0.752 . . . . 0.0 111.154 174.241 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.7 31.12 2.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.435 0.636 . . . . 0.0 112.039 -172.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -139.91 -46.98 0.44 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 110.943 172.41 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.78 73.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.552 0.691 . . . . 0.0 111.372 174.776 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.69 62.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.376 0.608 . . . . 0.0 111.501 -175.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.39 90.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.637 0.732 . . . . 0.0 111.236 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.48 -40.6 70.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.033 0.921 . . . . 0.0 111.022 -174.161 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -27.79 68.96 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.259 0.552 . . . . 0.0 111.81 173.042 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.9 -27.14 29.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.683 0.754 . . . . 0.0 111.28 -173.053 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.738 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.4 t -71.46 -34.53 70.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 110.989 172.615 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.29 -26.02 65.44 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.265 0.555 . . . . 0.0 111.844 172.402 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.467 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -83.4 -32.06 8.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.61 0.719 . . . . 0.0 111.209 -174.281 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -62.49 -36.05 81.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.948 0.88 . . . . 0.0 110.962 -178.214 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.642 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -93.97 33.98 1.28 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.855 -0.528 . . . . 0.0 112.38 -172.172 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -161.05 25.23 0.14 Allowed 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.742 -0.599 . . . . 0.0 112.371 -175.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -130.29 30.14 4.79 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.566 -0.709 . . . . 0.0 112.201 -173.074 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.105 HD12 ' HB2' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -62.91 -32.82 74.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.525 0.679 . . . . 0.0 111.36 175.862 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.55 30.31 12.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.469 0.652 . . . . 0.0 111.335 -172.506 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.105 ' HB2' HD12 ' A' ' 34' ' ' LEU . . . -56.61 -64.44 0.87 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.968 0.89 . . . . 0.0 110.812 176.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 38' ' ' MET . 12.0 pttt -111.81 -39.79 4.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.85 0.833 . . . . 0.0 110.934 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.484 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.187 0 CA-C-O 122.04 0.924 . . . . 0.0 110.954 -173.436 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.767 0 CA-C-O 121.987 0.899 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -52.93 -168.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 C-N-CA 126.498 4.799 . . . . 0.0 114.792 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -49.76 100.79 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.87 0.843 . . . . 0.0 111.018 173.878 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 4' ' ' VAL . 1.4 p -101.72 35.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.717 0.77 . . . . 0.0 111.175 177.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -30.32 9.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.897 0.856 . . . . 0.0 111.005 173.713 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -134.37 41.47 2.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.844 . . . . 0.0 111.011 172.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -99.02 -18.86 17.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 112.331 174.33 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -69.76 -34.56 73.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.835 0.826 . . . . 0.0 110.949 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.4 -37.94 27.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.924 0.868 . . . . 0.0 110.921 174.371 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -55.9 -37.24 68.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.717 0.77 . . . . 0.0 111.036 -173.177 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 14' ' ' PHE . 46.7 mt -79.28 -78.19 0.16 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 110.653 173.506 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.91 -90.7 0.01 OUTLIER 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.6 0.76 . . . . 0.0 112.001 -172.245 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -37.97 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.357 -0.84 . . . . 0.0 113.089 172.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 11' ' ' LEU . 2.5 t80 -42.08 -25.24 0.06 Allowed 'General case' 0 C--O 1.258 1.511 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -173.653 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.25 -40.0 7.12 Favored Glycine 0 C--N 1.316 -0.541 0 CA-C-N 120.077 1.308 . . . . 0.0 110.443 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.87 -29.46 41.59 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 121.762 -0.846 . . . . 0.0 111.752 171.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 54.3 m -55.82 -27.97 53.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.505 0.669 . . . . 0.0 111.661 -174.637 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.56 -42.66 51.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.72 0.771 . . . . 0.0 111.301 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.42 31.35 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.577 0.703 . . . . 0.0 112.098 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 5.0 t70 -138.47 -44.05 0.5 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.202 1.001 . . . . 0.0 110.657 172.201 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.03 -33.15 65.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.632 0.729 . . . . 0.0 111.439 176.929 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -70.53 -28.58 65.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.153 0.978 . . . . 0.0 110.928 176.672 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 1.7 mmp_? -49.73 -62.54 1.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.904 0.859 . . . . 0.0 111.732 172.55 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -68.46 -42.99 77.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.721 0.772 . . . . 0.0 111.369 -172.214 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -25.08 62.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.229 0.538 . . . . 0.0 111.858 176.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.55 -31.49 32.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.662 0.744 . . . . 0.0 111.5 -177.115 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.784 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -69.29 -38.54 78.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.921 174.303 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -64.54 -31.32 72.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.394 0.616 . . . . 0.0 111.742 172.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -32.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.789 0.804 . . . . 0.0 111.145 -172.347 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.784 ' HD3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -58.84 -34.75 71.91 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.762 0.792 . . . . 0.0 111.143 177.299 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.591 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -93.77 43.66 1.11 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.36 0.6 . . . . 0.0 111.684 -173.262 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.07 49.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.718 0.77 . . . . 0.0 111.349 177.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 30.99 5.25 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 121.763 -0.586 . . . . 0.0 112.024 -173.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.059 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -83.02 -38.14 23.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.734 0.778 . . . . 0.0 111.154 173.039 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p 57.04 24.22 9.33 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.756 0.789 . . . . 0.0 110.768 -171.391 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.059 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -89.01 -71.06 0.62 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.855 0.836 . . . . 0.0 110.891 -172.481 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.65 34.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.824 0.821 . . . . 0.0 111.029 -178.465 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.443 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.124 0 CA-C-O 121.991 0.9 . . . . 0.0 110.685 -176.188 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 121.984 0.897 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.84 -164.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.569 1 C-N-CA 126.447 4.765 . . . . 0.0 114.776 175.697 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.03 94.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.876 0.846 . . . . 0.0 111.003 175.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 4' ' ' VAL . 0.9 OUTLIER -110.88 30.42 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.576 0.703 . . . . 0.0 111.276 -176.895 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -106.0 -51.01 3.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.802 0.811 . . . . 0.0 110.884 -179.61 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -106.65 33.27 3.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.567 0.698 . . . . 0.0 111.493 172.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.5 -25.09 7.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.241 172.576 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.01 -31.06 68.54 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.814 0.816 . . . . 0.0 110.991 172.603 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.46 -48.28 47.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.663 0.744 . . . . 0.0 111.297 176.717 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -54.51 -29.1 49.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.847 0.832 . . . . 0.0 111.072 -172.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -90.2 -87.45 0.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.758 0.79 . . . . 0.0 110.803 172.467 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.45 -86.98 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 -173.296 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.73 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.627 -0.671 . . . . 0.0 112.192 172.017 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.438 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -42.47 -21.89 0.02 OUTLIER 'General case' 0 C--O 1.257 1.462 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -175.192 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.03 -46.84 6.45 Favored Glycine 0 C--N 1.317 -0.513 0 CA-C-N 120.22 1.373 . . . . 0.0 110.823 178.336 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -48.03 -43.56 30.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.915 0.864 . . . . 0.0 111.337 173.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -55.64 -40.2 71.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.712 . . . . 0.0 111.359 -172.532 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.5 pp -79.31 -19.96 49.09 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.22 0.533 . . . . 0.0 111.756 -172.829 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.79 20.76 4.51 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.547 -0.72 . . . . 0.0 112.513 172.446 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.73 -41.3 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.466 -0.771 . . . . 0.0 111.081 172.025 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -31.17 20.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.838 0.828 . . . . 0.0 111.14 -176.145 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -66.62 -10.48 46.27 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 174.333 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -36.05 62.35 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.379 -0.826 . . . . 0.0 111.443 -178.391 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.2 -40.58 16.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.998 0.904 . . . . 0.0 110.987 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.05 -24.34 67.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 172.877 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -63.43 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.633 0.73 . . . . 0.0 111.473 -179.817 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -32.76 74.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.086 0.946 . . . . 0.0 110.904 174.21 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -75.46 -23.94 56.93 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.431 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -33.28 11.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.341 -0.849 . . . . 0.0 111.268 -172.155 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.92 76.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.673 0.749 . . . . 0.0 111.198 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -93.24 32.99 1.24 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.309 0.576 . . . . 0.0 112.203 -172.716 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.9 p -170.08 33.66 0.02 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.579 0.704 . . . . 0.0 111.788 172.523 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.85 26.21 3.97 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 121.714 -0.616 . . . . 0.0 112.283 174.174 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -120.4 -26.86 5.31 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.559 -0.713 . . . . 0.0 112.561 179.72 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.07 27.2 2.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.765 1.269 . . . . 0.0 109.89 -171.127 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.799 ' HB3' HD12 ' A' ' 34' ' ' LEU . . . -88.73 -70.17 0.66 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.978 0.895 . . . . 0.0 111.019 -171.833 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -121.17 33.62 5.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.926 0.869 . . . . 0.0 110.854 -178.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.116 0 CA-C-O 122.022 0.915 . . . . 0.0 111.032 -178.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' THR . . . . . 1.042 HG21 HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 121.83 0.824 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -57.35 -145.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.728 1 C-N-CA 126.576 4.85 . . . . 0.0 114.195 174.496 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -88.46 48.52 1.65 Allowed 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.096 -1.002 . . . . 0.0 110.826 170.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.042 HG12 HG21 ' A' ' 1' ' ' THR . 0.4 OUTLIER -112.49 -17.84 8.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.764 0 O-C-N 121.703 -0.623 . . . . 0.0 111.884 -172.782 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -46.78 88.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.316 1.055 . . . . 0.0 110.295 171.392 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -99.47 41.57 1.15 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.379 1.085 . . . . 0.0 110.277 171.316 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . . . -74.06 137.69 43.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.483 1.135 . . . . 0.0 110.425 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 46.27 24.38 0.27 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.365 1.555 . . . . 0.0 113.553 -171.078 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.23 -46.33 8.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.145 0.974 . . . . 0.0 111.056 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -36.88 82.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.744 0.783 . . . . 0.0 110.938 172.814 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -99.74 41.32 1.16 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.808 1.289 . . . . 0.0 110.779 -177.658 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 56.16 3.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.969 0.89 . . . . 0.0 110.308 171.448 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.98 -84.84 0.0 OUTLIER 'General case' 0 C--O 1.244 0.805 0 O-C-N 121.801 -0.562 . . . . 0.0 110.317 -171.357 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -39.1 -23.13 0.01 OUTLIER 'General case' 0 C--O 1.257 1.499 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 168.656 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.32 -44.99 6.36 Favored Glycine 0 C--N 1.317 -0.513 0 CA-C-N 119.975 1.261 . . . . 0.0 111.156 178.229 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -47.96 -38.96 17.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.945 0.878 . . . . 0.0 111.328 175.447 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -70.16 -49.77 47.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.75 0.786 . . . . 0.0 110.878 -174.138 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.28 -36.68 71.33 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.575 0.702 . . . . 0.0 110.689 -175.494 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -73.0 -42.46 63.24 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.691 0.758 . . . . 0.0 111.325 -172.554 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.86 -49.37 65.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.793 0.806 . . . . 0.0 111.093 -172.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -17.55 49.59 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.231 0.538 . . . . 0.0 111.891 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -85.22 -14.37 47.01 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.476 -0.765 . . . . 0.0 112.468 172.25 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -49.71 56.86 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.413 -0.805 . . . . 0.0 111.412 179.157 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -70.13 -40.59 74.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.983 0.897 . . . . 0.0 110.82 -177.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.47 -24.14 67.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.218 0.533 . . . . 0.0 111.812 172.71 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.8 mt -73.81 -34.51 40.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.57 0.7 . . . . 0.0 111.256 177.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.544 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 29.6 t -66.68 -26.81 67.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.778 0.799 . . . . 0.0 110.623 172.246 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -76.7 -29.02 56.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.439 0.637 . . . . 0.0 111.491 171.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.3 mt -70.53 -36.88 67.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.003 0.906 . . . . 0.0 110.724 -173.857 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -61.77 -39.2 90.82 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 110.966 -178.175 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.599 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.4 tt0 -91.78 44.84 1.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.603 179.145 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -173.02 54.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.927 0.87 . . . . 0.0 111.074 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -114.85 24.79 11.46 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.309 0.576 . . . . 0.0 111.846 -172.559 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.871 ' HB2' ' HB3' ' A' ' 38' ' ' MET . 0.5 OUTLIER -135.15 -59.42 0.78 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.797 1.284 . . . . 0.0 111.368 -176.169 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.592 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 58.0 m 36.0 39.25 0.07 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.279 1.032 . . . . 0.0 112.431 -169.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 92.22 -33.54 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.813 1.245 . . . . 0.0 110.729 172.517 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -13.82 14.92 Favored 'General case' 0 C--O 1.243 0.745 0 O-C-N 121.515 -0.741 . . . . 0.0 111.124 170.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.871 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.949 0.881 . . . . 0.0 110.648 171.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.954 HG21 HG11 ' A' ' 4' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.217 -0.617 0 CA-C-O 121.53 0.681 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 1' ' ' THR . 61.4 Cg_exo -57.31 -150.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.53 3.65 1 C-N-CA 126.183 4.589 . . . . 0.0 114.237 174.252 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.11 -14.71 0.16 Allowed 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.359 -0.838 . . . . 0.0 112.689 171.581 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 1' ' ' THR . 0.9 OUTLIER -29.59 104.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 122.602 1.191 . . . . 0.0 112.462 171.34 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER 157.47 -47.55 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.643 1.211 . . . . 0.0 109.842 -171.196 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -147.59 41.79 1.05 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.288 1.042 . . . . 0.0 110.481 172.19 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.1 -26.32 19.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.97 0.891 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.6 tt -68.06 -28.98 67.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.539 0.685 . . . . 0.0 111.109 171.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.71 -42.58 68.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.598 0.713 . . . . 0.0 111.272 -178.282 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.14 95.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.764 0.792 . . . . 0.0 110.867 178.097 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.5 22.93 15.02 Favored 'General case' 0 C--O 1.25 1.091 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -64.26 154.55 34.74 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 169.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 5.4 mt-10 75.58 -71.99 0.11 Allowed 'General case' 0 C--N 1.316 -0.862 0 O-C-N 120.662 -1.273 . . . . 0.0 110.247 -167.348 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -45.9 -15.26 0.03 OUTLIER 'General case' 0 C--O 1.259 1.601 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.21 -36.57 5.4 Favored Glycine 0 C--N 1.315 -0.604 0 CA-C-N 120.82 1.645 . . . . 0.0 110.743 176.414 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -35.33 38.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.941 0.877 . . . . 0.0 111.444 172.342 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.745 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 59.9 m -63.36 -35.91 81.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.825 0.822 . . . . 0.0 111.314 -178.454 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.753 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.1 mt -81.74 -11.32 59.08 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 176.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.07 28.79 8.05 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 172.528 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.74 -49.97 0.35 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.538 0.685 . . . . 0.0 110.541 171.372 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.745 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -72.69 -24.19 60.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.013 0.911 . . . . 0.0 110.163 170.869 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -92.19 29.17 1.7 Allowed 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.516 0.674 . . . . 0.0 111.067 170.455 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 -16.18 10.92 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 0.0 112.141 174.052 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -96.16 -33.88 11.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.939 0.876 . . . . 0.0 110.035 170.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.5 -32.32 73.9 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.379 1.561 . . . . 0.0 107.697 169.242 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -83.27 162.12 3.24 Favored 'Isoleucine or valine' 0 C--O 1.252 1.191 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 164.305 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.701 ' HB3' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 80.7 -45.36 0.25 Allowed 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.64 -1.288 . . . . 0.0 110.058 -165.63 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -32.35 35.47 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.266 -0.896 . . . . 0.0 111.093 170.677 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -43.09 77.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.761 0.791 . . . . 0.0 110.496 176.375 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -34.38 13.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.106 0.955 . . . . 0.0 111.131 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.3 45.11 1.19 Allowed 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.812 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.88 52.69 0.0 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.567 0.699 . . . . 0.0 111.751 176.547 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.78 23.74 5.38 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 121.521 -0.737 . . . . 0.0 112.482 -179.19 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.6 pt? -61.83 -40.26 94.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.761 1.267 . . . . 0.0 112.033 -172.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.442 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 4.7 p -156.18 25.84 0.36 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 123.635 1.683 . . . . 0.0 108.943 172.076 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.4 -63.2 1.2 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.545 -167.577 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -99.85 -33.16 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.676 0.751 . . . . 0.0 111.077 172.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.015 0.912 . . . . 0.0 110.761 -172.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.238 0.463 0 CA-C-O 122.388 1.089 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.98 -41.04 0.39 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.552 0.692 . . . . 0.0 109.998 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -91.2 -30.9 16.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.379 1.085 . . . . 0.0 110.103 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.696 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -67.04 -26.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.631 0.729 . . . . 0.0 111.505 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.621 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.1 t -75.37 -30.14 60.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.884 0.85 . . . . 0.0 111.025 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -72.02 -21.45 61.54 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.727 -0.608 . . . . 0.0 111.91 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -33.88 7.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.945 0.879 . . . . 0.0 110.87 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.82 -32.48 73.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.732 0.777 . . . . 0.0 111.099 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 35.95 1.02 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.515 0.674 . . . . 0.0 111.84 -174.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 C--N 1.32 -0.684 0 CA-C-O 121.65 0.738 . . . . 0.0 111.259 -172.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.246 0.916 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -43.79 67.01 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.331 -0.856 . . . . 0.0 111.347 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.64 -38.97 53.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.03 0.919 . . . . 0.0 110.9 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.58 -26.93 68.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.289 0.566 . . . . 0.0 111.555 172.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.432 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 1.8 mt -65.73 -27.22 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.677 0.751 . . . . 0.0 111.172 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.592 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -65.16 -33.32 75.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.925 0.869 . . . . 0.0 110.899 172.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -73.18 -28.28 62.12 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.239 0.542 . . . . 0.0 111.895 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 25' ' ' LEU . 1.1 mp -72.25 -35.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.923 0.868 . . . . 0.0 110.759 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -61.59 -29.54 70.1 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.365 0.602 . . . . 0.0 111.802 -176.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.44 30.03 1.19 Allowed 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.554 -0.716 . . . . 0.0 112.922 -171.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.478 0.656 . . . . 0.0 111.977 172.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -46.02 69.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.663 0.744 . . . . 0.0 111.315 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.56 -41.8 65.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.865 0.84 . . . . 0.0 111.03 -172.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -24.98 66.25 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.153 0.501 . . . . 0.0 111.92 175.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.85 -29.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -32.41 72.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.091 0.948 . . . . 0.0 110.968 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.86 -30.48 65.47 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 111.895 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -29.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.785 0.802 . . . . 0.0 111.087 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.752 0.787 . . . . 0.0 111.006 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 42.24 1.09 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.57 0.7 . . . . 0.0 111.7 -175.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 121.632 0.73 . . . . 0.0 111.442 172.693 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.619 0 CA-C-O 121.421 0.629 . . . . 0.0 111.636 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.37 89.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.696 0.76 . . . . 0.0 111.268 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.47 -40.92 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.702 0.763 . . . . 0.0 111.275 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.43 -21.96 66.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.344 0.592 . . . . 0.0 111.736 176.373 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -68.09 -33.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.5 0.667 . . . . 0.0 111.46 173.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -33.94 77.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.175 0.988 . . . . 0.0 110.675 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -29.13 65.92 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.805 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.35 -33.99 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.71 -172.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.832 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.27 -47.0 82.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.831 0.824 . . . . 0.0 110.997 174.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.832 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.7 tt0 -93.74 45.64 1.16 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.592 0.71 . . . . 0.0 111.516 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.704 0 CA-C-O 122.003 0.906 . . . . 0.0 111.055 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.242 0.697 0 CA-C-O 121.189 0.518 . . . . 0.0 111.941 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -70.99 -40.58 71.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.0 111.171 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.31 -38.95 49.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.1 0.952 . . . . 0.0 110.976 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -26.5 68.22 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.528 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 22' ' ' ALA . 3.2 mt -66.09 -26.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 121.592 -0.693 . . . . 0.0 111.386 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -67.28 -33.81 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.468 1.127 . . . . 0.0 110.036 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -65.12 -31.91 73.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.448 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -43.28 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.004 0.907 . . . . 0.0 110.757 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.47 94.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.803 0.811 . . . . 0.0 111.073 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.79 47.85 1.25 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.558 -175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 121.741 0.782 . . . . 0.0 111.106 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.748 0.785 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -47.62 85.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.732 0.777 . . . . 0.0 111.254 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -78.12 -40.1 39.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.862 0.839 . . . . 0.0 111.23 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -23.15 67.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.294 0.568 . . . . 0.0 111.807 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -66.46 -29.47 46.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.756 0.788 . . . . 0.0 111.211 175.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -43.26 77.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.92 0.867 . . . . 0.0 110.949 172.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -60.37 -28.92 68.59 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.372 0.606 . . . . 0.0 112.027 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -36.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.848 0.832 . . . . 0.0 111.091 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HB2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.54 -32.62 74.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.403 -179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -92.81 43.4 1.12 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.599 0.714 . . . . 0.0 111.931 -172.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.32 -0.696 0 CA-C-O 121.503 0.668 . . . . 0.0 111.628 172.362 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.242 0.7 0 CA-C-O 121.279 0.561 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -58.03 4.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.661 0.743 . . . . 0.0 111.306 -172.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.71 -39.45 93.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.349 1.071 . . . . 0.0 110.915 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -74.08 -22.13 59.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.546 0.689 . . . . 0.0 111.337 -174.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.26 -32.94 56.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.762 0.791 . . . . 0.0 111.039 172.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.47 80.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.102 0.953 . . . . 0.0 110.639 172.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -65.72 -22.82 66.64 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.377 172.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.09 7.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.066 0.936 . . . . 0.0 110.688 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.08 -39.49 63.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.989 0.9 . . . . 0.0 110.822 172.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.51 46.79 1.26 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.638 0.732 . . . . 0.0 111.529 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 111.022 173.547 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.101 0.477 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' CD ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -82.31 -23.29 35.23 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.694 -0.628 . . . . 0.0 111.957 -176.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -85.38 -40.47 16.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.93 0.871 . . . . 0.0 111.006 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -22.69 66.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.325 0.584 . . . . 0.0 111.882 172.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -26.89 40.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.599 0.714 . . . . 0.0 111.397 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -71.22 -40.32 71.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.907 0.86 . . . . 0.0 110.836 172.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -27.1 68.16 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 111.778 172.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -34.54 11.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.833 0.825 . . . . 0.0 110.925 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.901 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.45 -30.82 71.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.619 0.723 . . . . 0.0 111.286 -177.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.901 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 1.9 tt0 -92.53 47.64 1.32 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.363 0.602 . . . . 0.0 111.658 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.684 0.754 . . . . 0.0 111.376 -178.538 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.245 0.845 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -41.42 98.12 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 111.138 172.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -82.77 -42.25 18.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.05 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.67 66.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.348 0.594 . . . . 0.0 111.79 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -64.45 -30.09 49.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.776 0.798 . . . . 0.0 111.085 179.036 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.61 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.69 -35.26 79.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.916 173.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -73.63 -27.89 61.51 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.291 0.567 . . . . 0.0 112.046 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.69 -31.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.652 0.739 . . . . 0.0 111.266 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -60.18 -36.51 77.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.926 0.869 . . . . 0.0 111.027 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.51 42.35 1.1 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.317 0.579 . . . . 0.0 112.036 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 111.703 172.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 121.881 0.848 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -88.37 132.13 34.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.156 170.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' ARG . 5.6 mt-10 89.37 -30.36 0.03 OUTLIER 'General case' 0 C--O 1.245 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 111.102 -172.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -87.92 -21.74 24.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.491 0.662 . . . . 0.0 110.883 170.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -65.04 -28.67 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.613 0.721 . . . . 0.0 111.323 174.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.81 78.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.0 0.905 . . . . 0.0 111.124 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.71 -30.3 71.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.444 0.64 . . . . 0.0 111.961 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -33.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.799 0.809 . . . . 0.0 111.077 -172.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -32.91 69.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.651 0.738 . . . . 0.0 111.25 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.11 40.76 1.07 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.394 0.616 . . . . 0.0 111.668 -174.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 121.774 0.797 . . . . 0.0 111.189 -178.138 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.61 0 CA-C-O 121.524 0.678 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HD2' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.31 -26.3 46.88 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.699 -0.626 . . . . 0.0 111.68 -172.172 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG3' ' HD2' ' A' ' 23' ' ' ARG . 15.3 mt-10 -79.88 -43.69 21.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.117 0.961 . . . . 0.0 110.565 171.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -22.19 66.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.322 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mt -69.49 -28.14 36.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.557 0.694 . . . . 0.0 111.625 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 t -75.72 -30.29 59.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.943 0.878 . . . . 0.0 110.801 172.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -68.99 -24.96 64.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.358 0.599 . . . . 0.0 111.56 171.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -35.08 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.037 0.922 . . . . 0.0 110.816 -176.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.82 -38.46 79.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.897 0.856 . . . . 0.0 110.959 179.331 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -90.92 45.99 1.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.638 0.732 . . . . 0.0 111.461 176.105 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.807 0.813 . . . . 0.0 111.04 -174.886 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.243 0.741 0 CA-C-O 121.184 0.516 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -49.74 65.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.945 0.879 . . . . 0.0 111.221 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.84 -39.34 35.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.023 0.916 . . . . 0.0 110.917 -175.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.285 0.564 . . . . 0.0 111.555 172.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.3 mt -68.2 -31.11 50.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.789 0.804 . . . . 0.0 111.181 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -60.35 -35.66 76.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.906 0.86 . . . . 0.0 110.919 172.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -73.56 -30.15 62.87 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.396 0.617 . . . . 0.0 111.938 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -68.65 -32.66 55.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.068 0.937 . . . . 0.0 110.651 -172.729 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -49.94 -40.7 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.856 0.836 . . . . 0.0 111.084 172.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.563 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -91.84 44.67 1.18 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.503 0.668 . . . . 0.0 111.567 179.681 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 121.882 0.849 . . . . 0.0 111.191 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 121.384 0.611 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.98 -75.33 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.997 0.903 . . . . 0.0 111.907 172.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 27' ' ' SER . 70.6 tt0 -52.17 -49.22 64.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.954 0.883 . . . . 0.0 112.26 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -26.74 67.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.75 -0.594 . . . . 0.0 111.494 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -68.37 -35.7 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.036 0.922 . . . . 0.0 111.224 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 13.3 t -60.07 -29.61 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.615 0.721 . . . . 0.0 111.213 172.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -80.75 -29.03 36.29 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.422 0.63 . . . . 0.0 111.973 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.99 49.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.929 0.871 . . . . 0.0 110.776 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.02 74.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.815 0.817 . . . . 0.0 111.019 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.67 51.12 1.81 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.738 0.78 . . . . 0.0 111.402 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 110.959 172.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.623 0 CA-C-O 121.574 0.702 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -59.23 2.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.924 0.869 . . . . 0.0 111.089 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.07 -47.92 79.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.773 0.796 . . . . 0.0 111.963 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -30.27 61.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.378 0.609 . . . . 0.0 111.444 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.14 -33.39 58.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.058 0.932 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 t -61.74 -29.24 69.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.591 0.71 . . . . 0.0 111.332 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -81.38 -28.3 34.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.397 0.618 . . . . 0.0 111.94 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -33.26 23.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.882 0.849 . . . . 0.0 111.109 -172.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -76.13 -35.23 59.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.88 0.848 . . . . 0.0 111.333 -172.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 30.85 1.42 Allowed 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.878 -0.514 . . . . 0.0 112.356 -172.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.245 0.844 0 O-C-N 121.77 -0.581 . . . . 0.0 112.224 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.243 0.712 0 CA-C-O 121.294 0.568 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -43.71 93.32 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.467 -0.771 . . . . 0.0 111.241 172.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.0 -41.59 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.909 0.862 . . . . 0.0 111.146 -172.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -64.66 -23.88 67.4 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.272 0.558 . . . . 0.0 111.693 174.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.598 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.9 mt -66.79 -26.84 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.265 177.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -64.77 -37.78 88.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.928 0.87 . . . . 0.0 110.916 172.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.56 -30.06 68.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.352 0.596 . . . . 0.0 111.709 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 HD21 ' A' ' 25' ' ' LEU . 1.6 mt -68.74 -39.81 80.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.926 0.869 . . . . 0.0 110.738 -173.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -57.06 -31.82 65.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.498 0.666 . . . . 0.0 111.444 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.31 28.17 1.5 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 111.842 172.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.245 0.85 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -67.91 -47.38 68.95 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.319 -0.863 . . . . 0.0 111.173 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.04 -41.83 70.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 110.955 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -72.16 -22.34 61.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.339 0.59 . . . . 0.0 111.688 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.57 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.4 mt -60.06 -26.1 35.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.534 0.683 . . . . 0.0 111.448 172.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.85 91.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.987 0.898 . . . . 0.0 110.697 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -65.14 -29.31 70.14 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.388 0.613 . . . . 0.0 111.679 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.2 mt -70.5 -37.82 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.258 1.028 . . . . 0.0 110.621 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.87 63.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.946 0.879 . . . . 0.0 111.046 172.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.02 35.05 1.3 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.546 0.688 . . . . 0.0 111.783 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 121.757 0.789 . . . . 0.0 110.939 175.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.67 0 CA-C-O 121.421 0.629 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -47.6 60.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.698 0.761 . . . . 0.0 111.242 -172.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.62 -37.26 42.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.999 0.904 . . . . 0.0 110.822 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -27.6 64.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.426 0.631 . . . . 0.0 111.389 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.476 HG23 ' HE2' ' A' ' 30' ' ' LYS . 1.2 mt -66.9 -31.82 55.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.786 0.803 . . . . 0.0 111.106 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -32.34 73.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.08 0.943 . . . . 0.0 110.844 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -71.1 -27.5 63.64 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.163 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -29.78 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.952 0.882 . . . . 0.0 111.031 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.29 -36.94 64.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 111.001 172.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -93.02 45.81 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.524 0.678 . . . . 0.0 111.617 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 121.828 0.823 . . . . 0.0 111.124 173.414 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.485 0.66 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -43.72 90.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.67 0.748 . . . . 0.0 111.039 172.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.32 -41.33 40.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.879 0.847 . . . . 0.0 111.031 -172.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.64 -23.62 67.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.266 0.555 . . . . 0.0 111.837 174.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.88 -30.96 43.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.597 0.713 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -32.87 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.302 1.049 . . . . 0.0 110.521 172.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -70.8 -29.82 66.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.663 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.78 -33.44 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.063 0.935 . . . . 0.0 110.603 -173.492 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -56.14 -34.15 65.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.731 0.777 . . . . 0.0 111.072 173.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 45.14 1.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.577 0.703 . . . . 0.0 111.548 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 122.128 0.966 . . . . 0.0 110.7 172.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.243 0.744 0 CA-C-O 121.234 0.54 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.15 86.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.576 -0.703 . . . . 0.0 111.451 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -80.82 -39.62 26.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.998 0.904 . . . . 0.0 110.933 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.45 -21.32 62.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.29 0.567 . . . . 0.0 112.111 172.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.2 mt -70.32 -35.19 61.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.635 0.731 . . . . 0.0 111.4 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -31.44 72.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.144 0.973 . . . . 0.0 110.752 172.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.02 -30.51 66.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.391 0.615 . . . . 0.0 111.81 172.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -33.72 41.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.981 0.896 . . . . 0.0 110.886 -172.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -40.81 80.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.81 0.814 . . . . 0.0 111.168 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.34 38.18 1.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.542 0.687 . . . . 0.0 111.693 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 122.765 1.269 . . . . 0.0 110.184 179.502 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.863 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.244 0.811 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -32.66 6.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.001 0.905 . . . . 0.0 110.724 171.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -91.49 -38.9 12.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.608 0.718 . . . . 0.0 111.184 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -28.28 68.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.334 0.588 . . . . 0.0 111.488 176.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -68.44 -29.56 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.624 0.726 . . . . 0.0 111.436 179.26 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -66.81 -33.41 75.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.083 0.944 . . . . 0.0 110.882 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -28.04 63.43 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.29 0.567 . . . . 0.0 111.994 172.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -32.32 22.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.865 0.841 . . . . 0.0 111.029 -173.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -63.45 -37.59 87.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.818 0.818 . . . . 0.0 110.989 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.54 48.75 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 111.46 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.682 0 CA-C-O 122.197 0.999 . . . . 0.0 110.896 172.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 122.007 0.908 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -28.47 66.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.294 0.569 . . . . 0.0 111.457 175.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -83.73 -46.09 12.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.702 0.763 . . . . 0.0 111.883 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.23 -21.14 61.46 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.858 -0.526 . . . . 0.0 112.166 172.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.526 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -70.2 -34.79 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.74 0.781 . . . . 0.0 111.148 172.409 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -63.92 -29.38 70.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.155 0.978 . . . . 0.0 110.701 171.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -27.88 56.62 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.355 0.598 . . . . 0.0 111.917 172.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -67.45 -33.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 122.591 1.186 . . . . 0.0 110.016 -176.595 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -65.94 -30.94 71.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.164 0.983 . . . . 0.0 110.744 172.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 51.65 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.462 0.649 . . . . 0.0 111.603 172.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.459 0.647 . . . . 0.0 111.572 178.2 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.243 0.728 0 CA-C-O 121.195 0.521 . . . . 0.0 111.88 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -51.01 61.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.649 -0.657 . . . . 0.0 111.343 -175.339 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.94 -40.56 60.74 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.995 0.902 . . . . 0.0 110.88 -176.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.53 -26.54 63.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 0.0 111.8 172.679 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.89 -28.83 38.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 0.0 111.104 -175.371 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -31.51 71.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 111.009 172.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -28.64 61.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.365 0.602 . . . . 0.0 112.045 174.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -37.16 24.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.925 0.869 . . . . 0.0 111.024 -172.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -57.96 -37.78 74.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.24 1.019 . . . . 0.0 110.85 -176.372 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.14 39.71 1.05 Allowed 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.2 -172.262 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.243 0.754 0 CA-C-O 121.386 0.612 . . . . 0.0 111.933 178.068 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.807 0.813 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -61.62 -38.01 86.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.706 0.765 . . . . 0.0 111.096 178.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.36 -41.32 40.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.886 0.851 . . . . 0.0 110.976 -173.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.567 HD12 HH21 ' A' ' 28' ' ' ARG . 0.1 OUTLIER -66.1 -24.1 66.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.118 174.886 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.4 mt -67.37 -26.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.639 0.733 . . . . 0.0 111.048 -177.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -43.0 73.44 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.348 1.07 . . . . 0.0 110.272 171.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.567 HH21 HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.48 -31.87 56.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.546 0.689 . . . . 0.0 111.881 171.774 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -33.99 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.897 0.856 . . . . 0.0 110.829 -172.091 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.679 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.34 -40.79 78.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.997 0.903 . . . . 0.0 110.991 179.329 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.679 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.1 tt0 -92.96 36.74 1.03 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.21 0.528 . . . . 0.0 111.911 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.245 0.828 0 O-C-N 121.746 -0.596 . . . . 0.0 112.143 -172.606 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.628 0 CA-C-O 121.376 0.608 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.39 90.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.637 0.732 . . . . 0.0 111.236 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.48 -40.6 70.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.033 0.921 . . . . 0.0 111.022 -174.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -27.79 68.96 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.259 0.552 . . . . 0.0 111.81 173.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.9 -27.14 29.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.683 0.754 . . . . 0.0 111.28 -173.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.738 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.4 t -71.46 -34.53 70.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 110.989 172.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.29 -26.02 65.44 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.265 0.555 . . . . 0.0 111.844 172.402 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.467 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -83.4 -32.06 8.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.61 0.719 . . . . 0.0 111.209 -174.281 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -62.49 -36.05 81.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.948 0.88 . . . . 0.0 110.962 -178.214 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.642 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -93.97 33.98 1.28 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.855 -0.528 . . . . 0.0 112.38 -172.172 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.243 0.754 0 O-C-N 121.742 -0.599 . . . . 0.0 112.371 -175.791 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 122.153 0.978 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -49.73 -62.54 1.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.904 0.859 . . . . 0.0 111.732 172.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -68.46 -42.99 77.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.721 0.772 . . . . 0.0 111.369 -172.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -25.08 62.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.229 0.538 . . . . 0.0 111.858 176.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.55 -31.49 32.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.662 0.744 . . . . 0.0 111.5 -177.115 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.784 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -69.29 -38.54 78.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.921 174.303 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -64.54 -31.32 72.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.394 0.616 . . . . 0.0 111.742 172.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -32.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.789 0.804 . . . . 0.0 111.145 -172.347 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.784 ' HD3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -58.84 -34.75 71.91 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.762 0.792 . . . . 0.0 111.143 177.299 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.591 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -93.77 43.66 1.11 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.36 0.6 . . . . 0.0 111.684 -173.262 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.718 0.77 . . . . 0.0 111.349 177.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.246 0.907 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -36.05 62.35 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.379 -0.826 . . . . 0.0 111.443 -178.391 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.2 -40.58 16.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.998 0.904 . . . . 0.0 110.987 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.05 -24.34 67.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 172.877 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -63.43 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.633 0.73 . . . . 0.0 111.473 -179.817 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -32.76 74.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.086 0.946 . . . . 0.0 110.904 174.21 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -75.46 -23.94 56.93 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.431 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -33.28 11.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.341 -0.849 . . . . 0.0 111.268 -172.155 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.92 76.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.673 0.749 . . . . 0.0 111.198 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -93.24 32.99 1.24 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.309 0.576 . . . . 0.0 112.203 -172.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--O 1.242 0.68 0 CA-C-O 121.579 0.704 . . . . 0.0 111.788 172.523 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--O 1.245 0.841 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -49.71 56.86 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.413 -0.805 . . . . 0.0 111.412 179.157 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -70.13 -40.59 74.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.983 0.897 . . . . 0.0 110.82 -177.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.47 -24.14 67.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.218 0.533 . . . . 0.0 111.812 172.71 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.8 mt -73.81 -34.51 40.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.57 0.7 . . . . 0.0 111.256 177.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.544 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 29.6 t -66.68 -26.81 67.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.778 0.799 . . . . 0.0 110.623 172.246 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -76.7 -29.02 56.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.439 0.637 . . . . 0.0 111.491 171.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.3 mt -70.53 -36.88 67.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.003 0.906 . . . . 0.0 110.724 -173.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -61.77 -39.2 90.82 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 110.966 -178.175 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.599 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.4 tt0 -91.78 44.84 1.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.603 179.145 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 121.927 0.87 . . . . 0.0 111.074 179.675 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.707 ' O ' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.241 0.653 0 CA-C-O 121.516 0.674 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 -16.18 10.92 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 0.0 112.141 174.052 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -96.16 -33.88 11.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.939 0.876 . . . . 0.0 110.035 170.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.5 -32.32 73.9 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.379 1.561 . . . . 0.0 107.697 169.242 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -83.27 162.12 3.24 Favored 'Isoleucine or valine' 0 C--O 1.252 1.191 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 164.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.701 ' HB3' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 80.7 -45.36 0.25 Allowed 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.64 -1.288 . . . . 0.0 110.058 -165.63 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -32.35 35.47 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.266 -0.896 . . . . 0.0 111.093 170.677 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -43.09 77.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.761 0.791 . . . . 0.0 110.496 176.375 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -34.38 13.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.106 0.955 . . . . 0.0 111.131 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.3 45.11 1.19 Allowed 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.812 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.736 0 CA-C-O 121.567 0.699 . . . . 0.0 111.751 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 121.478 0.656 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.77 -162.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 126.278 4.652 . . . . 0.0 114.656 175.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.676 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 24.8 t0 -64.64 91.38 0.08 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.75 0.785 . . . . 0.0 110.909 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.01 84.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.158 0.98 . . . . 0.0 110.839 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t 169.17 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.26 1.029 . . . . 0.0 110.664 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -150.23 44.1 0.87 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.913 0.863 . . . . 0.0 110.793 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -97.09 -26.17 15.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.124 0.964 . . . . 0.0 111.26 -176.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -28.65 67.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.239 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.33 -44.97 44.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.538 0.685 . . . . 0.0 111.613 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.1 -36.38 81.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.85 0.833 . . . . 0.0 111.023 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -70.49 -17.42 62.96 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.333 0.587 . . . . 0.0 112.217 -174.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -86.98 59.97 5.95 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.809 0.814 . . . . 0.0 110.727 171.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.6 tp10 170.13 -80.67 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 O-C-N 120.979 -1.075 . . . . 0.0 110.239 -171.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -42.98 -17.0 0.01 OUTLIER 'General case' 0 C--O 1.26 1.642 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 168.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.67 -42.9 6.28 Favored Glycine 0 N--CA 1.465 0.581 0 CA-C-N 120.598 1.544 . . . . 0.0 111.957 175.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -38.8 39.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.205 1.002 . . . . 0.0 111.241 172.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 51.9 m -70.96 -25.55 62.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.296 -172.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -81.42 -32.58 32.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.103 0.478 . . . . 0.0 112.253 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 5.1 tp10 -71.15 -7.46 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.625 -0.672 . . . . 0.0 112.624 175.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -19.97 12.61 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.363 -0.836 . . . . 0.0 110.895 171.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -89.32 3.14 53.1 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 121.306 -0.871 . . . . 0.0 112.539 172.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -140.57 30.56 1.9 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.388 1.089 . . . . 0.0 110.364 170.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -140.98 -41.04 0.39 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.552 0.692 . . . . 0.0 109.998 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -91.2 -30.9 16.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.379 1.085 . . . . 0.0 110.103 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.696 176.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -67.04 -26.33 36.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.631 0.729 . . . . 0.0 111.505 -178.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.621 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.1 t -75.37 -30.14 60.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.884 0.85 . . . . 0.0 111.025 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -72.02 -21.45 61.54 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.727 -0.608 . . . . 0.0 111.91 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -33.88 7.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.945 0.879 . . . . 0.0 110.87 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.82 -32.48 73.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.732 0.777 . . . . 0.0 111.099 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 35.95 1.02 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.515 0.674 . . . . 0.0 111.84 -174.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -170.28 41.66 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.65 0.738 . . . . 0.0 111.259 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 29.16 5.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 111.951 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.028 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -107.16 -37.16 6.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.847 0.832 . . . . 0.0 111.411 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.13 28.09 17.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.588 0.709 . . . . 0.0 110.815 -170.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.028 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -104.65 -35.61 7.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.745 0.783 . . . . 0.0 110.992 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.12 42.87 0.34 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.862 0.839 . . . . 0.0 110.999 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.186 0 CA-C-O 122.054 0.93 . . . . 0.0 110.989 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.637 ' CG2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 121.915 0.864 . . . . 0.0 111.066 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.33 -173.08 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.515 1 C-N-CA 126.455 4.77 . . . . 0.0 114.858 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.69 98.75 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.995 0.902 . . . . 0.0 110.924 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG23 ' CG2' ' A' ' 1' ' ' THR . 1.0 OUTLIER -98.48 -17.56 6.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -63.94 -36.26 83.39 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.338 -0.851 . . . . 0.0 111.122 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -120.98 36.17 4.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.691 0.758 . . . . 0.0 111.159 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.47 -20.12 40.89 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 tp -73.92 -31.17 62.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.669 0.747 . . . . 0.0 111.114 173.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -49.63 -41.45 42.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.714 0.768 . . . . 0.0 111.29 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -54.66 -38.13 66.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.804 0.811 . . . . 0.0 111.157 -172.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD22 ' HD2' ' A' ' 14' ' ' PHE . 22.2 mt -85.62 -75.96 0.35 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.722 0.773 . . . . 0.0 110.962 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.1 OUTLIER 23.63 56.96 0.03 OUTLIER 'General case' 0 C--O 1.247 0.929 0 C-N-CA 124.815 1.246 . . . . 0.0 113.636 -171.269 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 4.3 tt0 163.75 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.913 -1.117 . . . . 0.0 109.957 -171.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HD2' HD22 ' A' ' 11' ' ' LEU . 60.0 t80 -50.08 -10.65 0.05 Allowed 'General case' 0 C--O 1.261 1.662 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 169.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.32 -39.92 4.65 Favored Glycine 0 C--N 1.315 -0.585 0 CA-C-N 120.947 1.703 . . . . 0.0 110.901 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -48.55 -34.14 10.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.74 0.781 . . . . 0.0 111.169 172.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -52.3 -46.54 65.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.692 0.758 . . . . 0.0 111.216 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -59.81 -39.32 84.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 111.011 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.84 31.58 2.06 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.485 0.659 . . . . 0.0 111.847 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -130.08 -49.82 1.11 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.949 0.881 . . . . 0.0 111.117 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -18.4 34.83 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.267 0.556 . . . . 0.0 111.853 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -74.58 -11.57 60.24 Favored 'General case' 0 C--O 1.246 0.916 0 O-C-N 121.496 -0.753 . . . . 0.0 112.694 172.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -43.79 67.01 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.331 -0.856 . . . . 0.0 111.347 -176.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.64 -38.97 53.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.03 0.919 . . . . 0.0 110.9 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.58 -26.93 68.28 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.289 0.566 . . . . 0.0 111.555 172.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.432 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 1.8 mt -65.73 -27.22 40.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.677 0.751 . . . . 0.0 111.172 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.592 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -65.16 -33.32 75.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.925 0.869 . . . . 0.0 110.899 172.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -73.18 -28.28 62.12 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.239 0.542 . . . . 0.0 111.895 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 25' ' ' LEU . 1.1 mp -72.25 -35.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.923 0.868 . . . . 0.0 110.759 -173.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -61.59 -29.54 70.1 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.365 0.602 . . . . 0.0 111.802 -176.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.44 30.03 1.19 Allowed 'General case' 0 C--O 1.246 0.877 0 O-C-N 121.554 -0.716 . . . . 0.0 112.922 -171.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.39 37.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.478 0.656 . . . . 0.0 111.977 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -134.3 30.1 3.6 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.722 -0.611 . . . . 0.0 112.149 173.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.684 ' O ' ' HB2' ' A' ' 35' ' ' SER . 0.2 OUTLIER -116.46 -50.28 2.64 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.694 0.759 . . . . 0.0 111.154 175.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.684 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 16.8 m 81.42 6.67 1.2 Allowed 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 123.908 0.883 . . . . 0.0 112.95 -172.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 153.48 -62.05 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 123.12 1.438 . . . . 0.0 109.22 -172.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -165.31 25.63 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.789 170.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.137 0 CA-C-O 122.074 0.94 . . . . 0.0 111.285 -172.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.837 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 CA-C-O 122.424 1.106 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.837 ' HD2' HG22 ' A' ' 1' ' ' THR . 0.1 OUTLIER -88.02 -115.85 0.01 OUTLIER 'Trans proline' 0 N--CA 1.535 3.96 1 C-N-CA 127.245 5.296 . . . . 0.0 112.779 176.361 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.22 87.52 0.6 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.945 0.879 . . . . 0.0 110.717 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.69 -26.26 40.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.107 -172.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -61.94 -49.2 77.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.834 0.826 . . . . 0.0 110.96 -172.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -110.38 33.24 4.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.458 0.646 . . . . 0.0 111.349 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.78 -21.18 17.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.403 0.62 . . . . 0.0 112.544 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -29.91 54.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.936 0.874 . . . . 0.0 110.906 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.79 -39.95 27.18 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.718 0.771 . . . . 0.0 111.19 172.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -55.17 -41.43 71.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.845 0.831 . . . . 0.0 111.028 -172.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 14' ' ' PHE . 32.4 mt -78.67 -74.3 0.28 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 110.971 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 2.4 tptt 27.28 58.59 0.09 Allowed 'General case' 0 C--O 1.25 1.088 0 C-N-CA 124.506 1.122 . . . . 0.0 113.549 -171.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.684 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.4 tt0 160.09 -77.73 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 O-C-N 120.552 -1.342 . . . . 0.0 109.697 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD1' HD22 ' A' ' 11' ' ' LEU . 2.3 t80 -47.27 -19.25 0.13 Allowed 'General case' 0 C--O 1.261 1.691 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 169.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.02 -38.62 3.77 Favored Glycine 0 N--CA 1.464 0.556 0 CA-C-N 120.853 1.66 . . . . 0.0 110.916 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -49.15 -37.2 21.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.872 0.844 . . . . 0.0 111.004 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.8 m -58.67 -43.71 89.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.942 0.877 . . . . 0.0 110.966 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 18' ' ' LEU . 1.4 mt -60.26 -35.32 75.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.762 0.792 . . . . 0.0 111.024 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.09 31.63 2.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.609 0.719 . . . . 0.0 111.906 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -132.56 -48.14 0.89 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.906 0.86 . . . . 0.0 111.016 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 -20.54 25.41 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.351 0.596 . . . . 0.0 111.766 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -71.46 -25.36 62.26 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.526 -0.734 . . . . 0.0 111.527 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -46.02 69.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.663 0.744 . . . . 0.0 111.315 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.56 -41.8 65.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.865 0.84 . . . . 0.0 111.03 -172.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -24.98 66.25 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.153 0.501 . . . . 0.0 111.92 175.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.85 -29.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.579 0.704 . . . . 0.0 111.307 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -32.41 72.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.091 0.948 . . . . 0.0 110.968 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.86 -30.48 65.47 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 111.895 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -29.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.785 0.802 . . . . 0.0 111.087 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.752 0.787 . . . . 0.0 111.006 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 42.24 1.09 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.57 0.7 . . . . 0.0 111.7 -175.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 p -167.24 33.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.632 0.73 . . . . 0.0 111.442 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.02 31.07 4.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.437 0.636 . . . . 0.0 111.87 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.628 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -102.33 -48.97 4.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.816 0.817 . . . . 0.0 110.942 173.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER 66.86 20.66 10.54 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -177.231 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 90.11 -31.98 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.683 1.193 . . . . 0.0 111.679 172.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -123.06 -42.84 2.25 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.424 -0.798 . . . . 0.0 111.327 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.182 0 CA-C-O 122.042 0.925 . . . . 0.0 110.98 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.738 0 CA-C-O 122.106 0.955 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -56.65 -158.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.51 1 C-N-CA 126.375 4.716 . . . . 0.0 114.566 175.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -61.4 -11.84 11.94 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.558 ' O ' HG21 ' A' ' 1' ' ' THR . 6.7 p -89.43 52.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 121.378 -0.826 . . . . 0.0 111.619 172.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.678 ' HB3' HG22 ' A' ' 1' ' ' THR . 70.9 p -100.21 -43.63 6.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.931 0.872 . . . . 0.0 110.878 172.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.07 36.39 4.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.776 0.798 . . . . 0.0 110.961 172.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.81 -16.67 40.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.476 0.655 . . . . 0.0 112.346 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 tt -70.54 -29.66 66.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.065 0.936 . . . . 0.0 110.9 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.43 0.633 . . . . 0.0 111.313 173.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -49.83 -42.13 46.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.743 0.783 . . . . 0.0 110.59 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD12 ' CG ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -85.64 -98.6 0.07 Allowed 'General case' 0 C--O 1.243 0.755 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.844 171.318 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 56.85 -86.83 0.02 OUTLIER 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.961 -0.462 . . . . 0.0 111.296 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.629 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 13.6 tt0 -38.38 -71.07 0.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.044 -1.035 . . . . 0.0 113.384 170.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.47 ' CG ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -35.66 -32.28 0.02 OUTLIER 'General case' 0 C--O 1.253 1.246 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -177.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.04 -44.15 7.23 Favored Glycine 0 C--N 1.318 -0.468 0 O-C-N 120.967 -1.083 . . . . 0.0 110.784 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -45.73 -33.73 3.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.889 -0.771 . . . . 0.0 111.579 172.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.439 HG22 ' CD ' ' A' ' 21' ' ' LYS . 11.8 m -63.46 -41.43 98.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.796 0.808 . . . . 0.0 111.05 -174.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.34 -31.34 71.96 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.528 0.68 . . . . 0.0 111.344 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -92.53 27.88 2.16 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.703 -0.623 . . . . 0.0 112.305 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -132.91 -42.43 0.9 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.889 0.852 . . . . 0.0 110.874 172.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' CD ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -79.55 -23.27 42.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.337 0.589 . . . . 0.0 111.85 176.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -66.58 -30.77 71.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.421 0.629 . . . . 0.0 111.636 172.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.37 89.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.696 0.76 . . . . 0.0 111.268 -175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.47 -40.92 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.702 0.763 . . . . 0.0 111.275 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.43 -21.96 66.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.344 0.592 . . . . 0.0 111.736 176.373 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -68.09 -33.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.5 0.667 . . . . 0.0 111.46 173.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -33.94 77.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.175 0.988 . . . . 0.0 110.675 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -29.13 65.92 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.805 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.35 -33.99 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.71 -172.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.832 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.27 -47.0 82.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.831 0.824 . . . . 0.0 110.997 174.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.832 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.7 tt0 -93.74 45.64 1.16 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.592 0.71 . . . . 0.0 111.516 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.19 39.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.003 0.906 . . . . 0.0 111.055 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.82 28.98 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.471 0.653 . . . . 0.0 111.807 -177.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 ' N ' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -125.38 -48.93 1.68 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.714 0.769 . . . . 0.0 111.075 179.066 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.612 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 p 68.06 20.27 9.08 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 88.08 -23.87 0.11 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.442 1.097 . . . . 0.0 112.288 171.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -125.98 -45.79 1.71 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.802 0.811 . . . . 0.0 111.097 172.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.14 0 CA-C-O 121.999 0.904 . . . . 0.0 110.989 -172.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.874 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 121.655 0.74 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 1' ' ' THR . 74.4 Cg_exo -54.97 -158.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.572 1 C-N-CA 126.259 4.639 . . . . 0.0 114.677 174.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 6.2 t70 -59.06 92.68 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.857 0.837 . . . . 0.0 110.895 172.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.684 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 6.0 p -61.88 -26.69 40.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.402 0.62 . . . . 0.0 111.583 -172.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -56.41 -62.82 1.46 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.877 0.846 . . . . 0.0 110.935 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -98.74 35.31 1.87 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.834 0.826 . . . . 0.0 111.246 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . . . -94.39 148.68 21.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.611 1.196 . . . . 0.0 109.557 170.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.8 OUTLIER 38.86 31.33 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.751 1.739 . . . . 0.0 113.148 -169.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -97.71 -42.06 7.8 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.933 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -58.7 -45.03 90.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.935 0.874 . . . . 0.0 111.054 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.701 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.7 mm? -75.4 -2.13 27.13 Favored 'General case' 0 C--O 1.252 1.207 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -172.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -51.82 154.81 1.93 Allowed 'General case' 0 C--O 1.255 1.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 8.4 tp10 73.82 -73.89 0.09 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.713 -1.242 . . . . 0.0 110.721 -168.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.701 ' CD1' HD12 ' A' ' 11' ' ' LEU . 4.0 t80 -41.4 -22.84 0.02 OUTLIER 'General case' 0 C--O 1.259 1.598 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 174.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -94.43 -34.16 6.49 Favored Glycine 0 C--N 1.316 -0.531 0 CA-C-N 120.321 1.419 . . . . 0.0 110.907 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -56.41 -43.14 79.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.799 0.809 . . . . 0.0 111.02 175.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -54.72 -38.54 67.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.753 0.787 . . . . 0.0 110.946 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' GLY . 9.4 tp -51.45 -47.72 62.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.688 0.756 . . . . 0.0 111.016 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HG3' ' NH1' ' A' ' 23' ' ' ARG . 4.2 tp10 -68.14 -46.91 69.52 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.42 0.629 . . . . 0.0 111.751 -172.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.98 -48.99 76.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.713 0.768 . . . . 0.0 111.399 -172.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -13.07 59.12 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.642 -0.661 . . . . 0.0 112.126 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -78.61 -23.98 45.64 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.354 -0.841 . . . . 0.0 111.941 172.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' NH1' ' HG3' ' A' ' 19' ' ' GLU . 1.6 mpt_? -70.99 -40.58 71.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.0 111.171 -178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.31 -38.95 49.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.1 0.952 . . . . 0.0 110.976 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -26.5 68.22 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.528 173.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 22' ' ' ALA . 3.2 mt -66.09 -26.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 121.592 -0.693 . . . . 0.0 111.386 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -67.28 -33.81 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.468 1.127 . . . . 0.0 110.036 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -65.12 -31.91 73.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.448 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -43.28 78.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.004 0.907 . . . . 0.0 110.757 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.47 94.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.803 0.811 . . . . 0.0 111.073 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.79 47.85 1.25 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.558 -175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.67 38.32 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.741 0.782 . . . . 0.0 111.106 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -123.77 22.9 8.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.49 0.662 . . . . 0.0 111.861 -172.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -60.93 -42.77 98.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.729 0.776 . . . . 0.0 110.954 -172.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.4 OUTLIER 49.68 29.78 3.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.53 0.681 . . . . 0.0 111.311 -176.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 64.01 63.78 0.79 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.952 0.882 . . . . 0.0 110.897 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.15 1.84 4.15 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.173 0 CA-C-O 121.991 0.9 . . . . 0.0 110.955 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -57.31 -145.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.713 1 C-N-CA 126.511 4.807 . . . . 0.0 114.178 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 24.6 t70 -88.5 49.59 1.82 Allowed 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.134 -0.979 . . . . 0.0 110.815 170.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 2.4 t -118.18 26.41 3.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 123.208 1.48 . . . . 0.0 110.798 -174.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -53.53 2.73 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.669 -1.269 . . . . 0.0 110.684 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -112.79 40.46 2.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.895 0.855 . . . . 0.0 110.823 172.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -85.46 -24.33 27.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.708 0.766 . . . . 0.0 112.063 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 8' ' ' LEU . 1.2 tm? -73.11 -30.53 63.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.031 0.919 . . . . 0.0 110.751 172.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.87 -44.71 59.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.849 0.833 . . . . 0.0 110.947 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -53.92 -35.56 61.81 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.823 0.821 . . . . 0.0 110.928 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' HG ' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -82.32 -92.58 0.06 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.33 0.586 . . . . 0.0 110.632 172.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER 58.42 -86.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.91 -0.494 . . . . 0.0 111.236 -172.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.56 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 172.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' HD2' ' HG ' ' A' ' 11' ' ' LEU . 4.2 t80 -43.91 -22.39 0.06 Allowed 'General case' 0 C--O 1.257 1.493 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.55 -38.26 6.68 Favored Glycine 0 C--N 1.317 -0.502 0 CA-C-N 120.274 1.397 . . . . 0.0 110.636 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.22 -25.91 25.58 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.748 -0.854 . . . . 0.0 111.841 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.475 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 37.7 m -46.35 -47.1 18.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.411 0.624 . . . . 0.0 112.008 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -53.05 -46.2 68.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 111.534 179.219 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.99 31.54 1.41 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 121.701 -0.625 . . . . 0.0 112.612 -172.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.77 -48.95 0.88 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.931 0.872 . . . . 0.0 111.225 172.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -75.15 -20.26 59.46 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.336 0.589 . . . . 0.0 111.731 174.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -80.34 -26.63 38.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.748 0.785 . . . . 0.0 111.026 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -47.62 85.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.732 0.777 . . . . 0.0 111.254 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -78.12 -40.1 39.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.862 0.839 . . . . 0.0 111.23 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -23.15 67.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.294 0.568 . . . . 0.0 111.807 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -66.46 -29.47 46.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.756 0.788 . . . . 0.0 111.211 175.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -43.26 77.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.92 0.867 . . . . 0.0 110.949 172.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -60.37 -28.92 68.59 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.372 0.606 . . . . 0.0 112.027 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -36.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.848 0.832 . . . . 0.0 111.091 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HB2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.54 -32.62 74.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.403 -179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -92.81 43.4 1.12 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.599 0.714 . . . . 0.0 111.931 -172.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 t -164.95 28.83 0.06 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.503 0.668 . . . . 0.0 111.628 172.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.28 25.24 4.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.536 0.684 . . . . 0.0 111.656 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.5 pt? -58.95 -40.29 84.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.899 1.333 . . . . 0.0 111.729 -172.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 4.6 p -155.12 25.14 0.42 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.869 1.795 . . . . 0.0 108.933 171.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -66.84 0.32 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.758 -166.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.81 30.13 3.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.815 0.817 . . . . 0.0 110.966 176.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.143 0 CA-C-O 122.012 0.911 . . . . 0.0 110.988 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.835 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 121.647 0.736 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.835 ' HD2' HG22 ' A' ' 1' ' ' THR . 73.3 Cg_exo -55.54 -157.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 126.27 4.647 . . . . 0.0 114.612 174.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.27 91.1 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 172.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.05 -17.39 22.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.353 -172.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -65.09 -49.82 68.54 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.418 -0.801 . . . . 0.0 111.146 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.96 34.3 3.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.52 0.676 . . . . 0.0 111.157 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.81 -23.25 21.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.675 0.75 . . . . 0.0 112.291 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.79 -31.56 64.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.082 0.944 . . . . 0.0 110.603 171.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -51.4 -42.37 61.39 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.777 -0.577 . . . . 0.0 112.232 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -34.94 58.73 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.623 0.725 . . . . 0.0 110.947 -171.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.072 HD22 ' CD2' ' A' ' 14' ' ' PHE . 90.3 mt -78.39 -98.47 0.03 OUTLIER 'General case' 0 C--O 1.245 0.836 0 O-C-N 122.03 -0.419 . . . . 0.0 110.342 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 tptt 58.54 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.611 -0.681 . . . . 0.0 111.764 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -38.03 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.477 -0.764 . . . . 0.0 112.899 172.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 1.072 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.61 -31.88 0.03 OUTLIER 'General case' 0 C--O 1.253 1.248 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -177.201 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 18' ' ' LEU . . . -71.22 -52.52 13.17 Favored Glycine 0 C--N 1.317 -0.513 0 O-C-N 120.985 -1.072 . . . . 0.0 111.128 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -48.2 -35.64 12.21 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.737 -0.861 . . . . 0.0 112.14 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.491 HG22 ' CD ' ' A' ' 21' ' ' LYS . 86.8 m -70.06 -27.06 64.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.545 0.688 . . . . 0.0 112.114 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -82.65 -19.93 37.27 Favored 'General case' 0 C--O 1.244 0.794 0 O-C-N 121.725 -0.61 . . . . 0.0 112.102 172.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.12 29.96 2.02 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.585 -0.697 . . . . 0.0 112.26 174.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -143.93 -42.08 0.27 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.132 0.968 . . . . 0.0 110.449 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' CD ' HG22 ' A' ' 17' ' ' THR . 5.7 mtpt -64.11 -46.3 84.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.678 0.751 . . . . 0.0 110.713 171.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -55.88 -29.7 60.37 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.279 0.561 . . . . 0.0 111.927 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -58.03 4.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.661 0.743 . . . . 0.0 111.306 -172.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.71 -39.45 93.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.349 1.071 . . . . 0.0 110.915 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -74.08 -22.13 59.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.546 0.689 . . . . 0.0 111.337 -174.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.26 -32.94 56.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.762 0.791 . . . . 0.0 111.039 172.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.47 80.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.102 0.953 . . . . 0.0 110.639 172.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -65.72 -22.82 66.64 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.377 172.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.09 7.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.066 0.936 . . . . 0.0 110.688 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.08 -39.49 63.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.989 0.9 . . . . 0.0 110.822 172.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.51 46.79 1.26 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.638 0.732 . . . . 0.0 111.529 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -168.24 43.01 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 111.022 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.42 30.78 5.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.711 0.767 . . . . 0.0 111.697 -172.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -48.5 -36.42 15.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.772 0.796 . . . . 0.0 111.37 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 m 51.35 35.08 13.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.639 0.733 . . . . 0.0 111.244 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 57.46 1.24 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.907 0.86 . . . . 0.0 110.898 172.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.5 36.18 6.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 111.013 174.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.127 0 CA-C-O 121.945 0.878 . . . . 0.0 110.616 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.995 0.902 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.27 176.71 0.49 Allowed 'Trans proline' 0 N--CA 1.528 3.546 1 C-N-CA 126.294 4.663 . . . . 0.0 114.693 174.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER 31.47 -89.98 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.195 1.398 . . . . 0.0 113.751 172.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 3' ' ' ASP . 1.9 p 50.47 27.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 121.548 -0.72 . . . . 0.0 111.648 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.69 -39.24 3.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.943 0.878 . . . . 0.0 110.924 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -131.08 35.2 3.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.698 0.761 . . . . 0.0 111.026 174.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.49 31.56 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.76 0.791 . . . . 0.0 112.065 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.55 -30.72 71.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.167 0.984 . . . . 0.0 110.53 172.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.82 -41.07 97.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.899 0.857 . . . . 0.0 110.852 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -58.36 -35.86 72.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.745 0.784 . . . . 0.0 110.968 -174.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -88.42 -93.97 0.1 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 174.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.35 -85.35 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.766 -0.584 . . . . 0.0 111.653 -174.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -37.43 -72.77 0.05 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 172.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -33.35 -40.22 0.06 Allowed 'General case' 0 C--O 1.248 0.988 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -179.549 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' N ' ' CD1' ' A' ' 14' ' ' PHE . . . -67.67 -51.33 36.54 Favored Glycine 0 C--N 1.318 -0.44 0 O-C-N 121.308 -0.87 . . . . 0.0 111.266 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -47.05 -34.09 5.47 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.809 -0.818 . . . . 0.0 111.923 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.6 m -57.93 -40.75 81.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.538 0.685 . . . . 0.0 111.434 -172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -69.35 -33.58 73.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.458 0.647 . . . . 0.0 111.364 -178.227 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 30.58 5.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.517 0.675 . . . . 0.0 112.001 -173.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.72 -44.74 0.53 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.918 . . . . 0.0 110.721 172.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -67.86 -35.46 78.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.84 0.828 . . . . 0.0 110.891 172.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -83.85 -25.12 30.55 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.101 0.477 . . . . 0.0 112.002 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' CD ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -82.31 -23.29 35.23 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.694 -0.628 . . . . 0.0 111.957 -176.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -85.38 -40.47 16.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.93 0.871 . . . . 0.0 111.006 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -22.69 66.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.325 0.584 . . . . 0.0 111.882 172.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -26.89 40.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.599 0.714 . . . . 0.0 111.397 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -71.22 -40.32 71.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.907 0.86 . . . . 0.0 110.836 172.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -27.1 68.16 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 111.778 172.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -34.54 11.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.833 0.825 . . . . 0.0 110.925 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.901 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -64.45 -30.82 71.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.619 0.723 . . . . 0.0 111.286 -177.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.901 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 1.9 tt0 -92.53 47.64 1.32 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.363 0.602 . . . . 0.0 111.658 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -168.71 34.69 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.684 0.754 . . . . 0.0 111.376 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.08 29.53 5.59 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.795 -0.566 . . . . 0.0 112.058 -172.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.071 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -82.25 -35.96 27.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.706 0.765 . . . . 0.0 111.185 175.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m 51.07 27.4 3.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.945 0.878 . . . . 0.0 110.413 -171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.071 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -85.75 -59.93 2.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.94 0.876 . . . . 0.0 110.809 -172.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -97.58 -35.75 10.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.87 0.843 . . . . 0.0 110.883 172.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.176 0 CA-C-O 121.969 0.89 . . . . 0.0 110.767 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 121.97 0.89 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.17 -160.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.5 1 C-N-CA 126.529 4.819 . . . . 0.0 114.892 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.42 100.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.802 0.811 . . . . 0.0 111.0 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -101.52 28.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.658 0.742 . . . . 0.0 111.262 -178.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -110.71 -39.48 4.85 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.959 0.885 . . . . 0.0 110.828 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -109.2 34.63 3.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.799 0.809 . . . . 0.0 110.999 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.84 -19.92 14.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.605 0.717 . . . . 0.0 112.169 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -29.53 67.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.738 0.78 . . . . 0.0 111.112 172.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.41 -44.42 55.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.796 0.808 . . . . 0.0 111.05 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -68.03 -32.09 72.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.736 0.779 . . . . 0.0 110.935 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.808 HD12 ' CD1' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.66 37.38 2.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.131 0.967 . . . . 0.0 111.203 177.317 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -89.75 57.47 3.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.956 0.884 . . . . 0.0 110.298 171.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.4 tp10 172.72 -81.3 0.0 OUTLIER 'General case' 0 C--O 1.244 0.796 0 O-C-N 121.519 -0.738 . . . . 0.0 110.272 -171.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.808 ' CD1' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -39.67 -27.76 0.04 OUTLIER 'General case' 0 C--O 1.258 1.513 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -91.48 -37.33 6.21 Favored Glycine 0 N--CA 1.465 0.58 0 O-C-N 120.614 -1.304 . . . . 0.0 110.805 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.88 -37.62 32.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.875 0.845 . . . . 0.0 111.018 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.1 m -68.79 -31.48 70.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.936 0.874 . . . . 0.0 110.975 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 8.6 mt -58.59 -39.13 79.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.816 0.817 . . . . 0.0 111.048 174.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -96.05 31.91 2.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.555 0.693 . . . . 0.0 111.873 -172.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.06 -45.12 0.71 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.832 0.825 . . . . 0.0 110.924 172.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -23.84 23.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.458 0.647 . . . . 0.0 111.499 -177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -74.72 -10.84 59.9 Favored 'General case' 0 C--O 1.245 0.845 0 O-C-N 121.642 -0.661 . . . . 0.0 112.423 172.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -41.42 98.12 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 111.138 172.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -82.77 -42.25 18.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.05 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.67 66.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.348 0.594 . . . . 0.0 111.79 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -64.45 -30.09 49.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.776 0.798 . . . . 0.0 111.085 179.036 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.61 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.69 -35.26 79.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.916 173.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -73.63 -27.89 61.51 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.291 0.567 . . . . 0.0 112.046 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.69 -31.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.652 0.739 . . . . 0.0 111.266 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -60.18 -36.51 77.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.926 0.869 . . . . 0.0 111.027 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.51 42.35 1.1 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.317 0.579 . . . . 0.0 112.036 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 36.86 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 111.703 172.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.84 30.92 4.57 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.608 -0.682 . . . . 0.0 111.983 176.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.596 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -107.68 -51.83 2.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.828 0.823 . . . . 0.0 111.081 173.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 t 65.61 20.02 11.54 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -174.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 91.16 -37.39 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.911 1.284 . . . . 0.0 111.325 172.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.49 39.89 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.591 -0.693 . . . . 0.0 111.307 -178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.543 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.141 0 CA-C-O 122.03 0.919 . . . . 0.0 110.922 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.909 0.861 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -53.73 -171.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.553 1 C-N-CA 126.389 4.726 . . . . 0.0 114.766 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.671 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 20.7 t70 -54.78 99.26 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.854 0.835 . . . . 0.0 110.909 172.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.53 36.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.762 0.791 . . . . 0.0 111.069 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -107.65 -38.05 5.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.869 0.842 . . . . 0.0 110.89 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -129.49 36.49 4.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.762 0.792 . . . . 0.0 111.029 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -88.62 -23.59 23.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.616 0.722 . . . . 0.0 112.143 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.41 -32.56 74.02 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.682 0.753 . . . . 0.0 110.975 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.15 -39.45 63.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.825 0.821 . . . . 0.0 111.025 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -56.61 -38.35 71.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.909 0.861 . . . . 0.0 110.953 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -85.26 -85.94 0.14 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.913 0.863 . . . . 0.0 111.001 175.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.09 -87.63 0.02 OUTLIER 'General case' 0 C--O 1.242 0.688 0 O-C-N 121.931 -0.481 . . . . 0.0 110.714 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -46.97 -79.38 0.01 OUTLIER 'General case' 0 C--O 1.243 0.716 0 O-C-N 121.465 -0.772 . . . . 0.0 112.436 172.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -43.73 -19.91 0.02 OUTLIER 'General case' 0 C--O 1.26 1.605 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 -175.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.669 ' HA2' HD23 ' A' ' 18' ' ' LEU . . . -84.4 -44.09 6.7 Favored Glycine 0 C--N 1.316 -0.533 0 CA-C-N 120.564 1.529 . . . . 0.0 111.174 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -45.44 -38.11 5.78 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.777 -0.837 . . . . 0.0 111.792 174.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 m -65.52 -44.85 85.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.802 0.81 . . . . 0.0 111.162 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.669 HD23 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -73.75 -11.03 60.26 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 175.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -93.28 22.2 5.38 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.32 -0.863 . . . . 0.0 112.134 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -118.38 -34.96 3.9 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 122.235 1.017 . . . . 0.0 110.459 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -78.59 -41.92 30.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.65 0.738 . . . . 0.0 110.99 172.104 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -45.64 -25.95 0.54 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.881 0.848 . . . . 0.0 110.866 172.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -88.37 132.13 34.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.29 0.567 . . . . 0.0 110.156 170.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' ARG . 5.6 mt-10 89.37 -30.36 0.03 OUTLIER 'General case' 0 C--O 1.245 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 111.102 -172.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -87.92 -21.74 24.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.491 0.662 . . . . 0.0 110.883 170.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -65.04 -28.67 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.613 0.721 . . . . 0.0 111.323 174.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -43.81 78.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.0 0.905 . . . . 0.0 111.124 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.71 -30.3 71.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.444 0.64 . . . . 0.0 111.961 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -33.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.799 0.809 . . . . 0.0 111.077 -172.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -32.91 69.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.651 0.738 . . . . 0.0 111.25 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.11 40.76 1.07 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.394 0.616 . . . . 0.0 111.668 -174.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 t -172.47 45.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.774 0.797 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.76 23.42 7.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.431 0.634 . . . . 0.0 111.867 -173.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.096 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -59.68 -37.85 79.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.859 0.838 . . . . 0.0 111.086 -174.346 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 56.73 25.11 9.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.716 0.769 . . . . 0.0 110.884 -171.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.096 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -75.43 -48.75 21.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.326 1.06 . . . . 0.0 110.527 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.52 -47.94 0.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.692 0.758 . . . . 0.0 111.054 172.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.011 0.91 . . . . 0.0 110.928 -175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 CA-C-O 121.97 0.891 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.609 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 88.1 Cg_exo -54.02 -162.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.465 1 C-N-CA 126.481 4.788 . . . . 0.0 114.947 176.054 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 4' ' ' VAL . 13.6 t70 -53.68 -26.11 21.25 Favored 'General case' 0 C--O 1.244 0.805 0 O-C-N 121.812 -0.555 . . . . 0.0 112.369 177.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 5' ' ' SER . 3.6 p 48.73 71.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 123.462 1.601 . . . . 0.0 110.53 -172.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 9.2 t 163.54 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.566 1.174 . . . . 0.0 110.242 -171.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 p -149.57 47.72 0.95 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.791 0.805 . . . . 0.0 110.849 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 2' ' ' PRO . . . -103.83 -24.14 13.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.031 0.919 . . . . 0.0 111.594 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 8' ' ' LEU . 1.5 tm? -72.63 -25.22 61.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 172.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -52.64 -37.87 59.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.838 0.827 . . . . 0.0 110.963 172.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.49 88.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.769 0.795 . . . . 0.0 110.966 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -100.84 13.58 34.56 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.321 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -46.84 -76.06 0.03 OUTLIER 'General case' 0 C--O 1.248 0.983 0 O-C-N 121.406 -0.808 . . . . 0.0 111.069 172.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -36.34 -70.16 0.09 Allowed 'General case' 0 C--O 1.244 0.785 0 O-C-N 120.751 -1.218 . . . . 0.0 113.657 170.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' HB3' HD12 ' A' ' 11' ' ' LEU . 50.6 t80 -46.5 -16.36 0.03 OUTLIER 'General case' 0 C--O 1.26 1.624 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -171.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.38 -41.14 2.83 Favored Glycine 0 C--N 1.316 -0.564 0 CA-C-N 120.794 1.634 . . . . 0.0 111.163 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -50.39 -32.39 17.42 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.882 -0.776 . . . . 0.0 111.475 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -60.06 -39.74 87.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.682 0.753 . . . . 0.0 111.17 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 4.5 mt -64.74 -35.87 82.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.687 0.756 . . . . 0.0 111.031 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.19 26.34 4.84 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.146 0.498 . . . . 0.0 112.328 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -134.91 -48.24 0.74 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.745 0.783 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.11 -20.63 55.39 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.766 -0.584 . . . . 0.0 111.726 175.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -87.47 -32.75 19.31 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 111.623 172.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HD2' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.31 -26.3 46.88 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.699 -0.626 . . . . 0.0 111.68 -172.172 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG3' ' HD2' ' A' ' 23' ' ' ARG . 15.3 mt-10 -79.88 -43.69 21.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.117 0.961 . . . . 0.0 110.565 171.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -22.19 66.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.322 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mt -69.49 -28.14 36.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.557 0.694 . . . . 0.0 111.625 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 t -75.72 -30.29 59.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.943 0.878 . . . . 0.0 110.801 172.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 -68.99 -24.96 64.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.358 0.599 . . . . 0.0 111.56 171.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -35.08 12.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 122.037 0.922 . . . . 0.0 110.816 -176.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.82 -38.46 79.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.897 0.856 . . . . 0.0 110.959 179.331 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -90.92 45.99 1.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.638 0.732 . . . . 0.0 111.461 176.105 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -170.83 57.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.807 0.813 . . . . 0.0 111.04 -174.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.89 31.13 5.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.531 0.682 . . . . 0.0 111.895 -172.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -107.63 -50.17 3.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.958 0.885 . . . . 0.0 110.901 172.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.56 ' HB3' ' HB2' ' A' ' 38' ' ' MET . 0.2 OUTLIER 52.98 37.23 24.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.801 0.81 . . . . 0.0 111.187 -173.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 62.22 56.18 2.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.895 0.855 . . . . 0.0 111.114 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt 70.88 36.42 1.5 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.724 0.773 . . . . 0.0 111.346 172.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.56 ' HB2' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.128 0 CA-C-O 122.013 0.911 . . . . 0.0 110.948 172.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.868 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 121.576 0.703 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 1' ' ' THR . 77.1 Cg_exo -56.41 -157.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.601 1 C-N-CA 126.232 4.621 . . . . 0.0 114.272 174.492 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.04 89.58 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.79 0.805 . . . . 0.0 110.758 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 5' ' ' SER . 2.8 p -75.07 88.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.077 0.941 . . . . 0.0 111.101 -172.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER 163.2 -46.87 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.315 1.055 . . . . 0.0 110.342 -172.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.97 49.84 2.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.989 0.899 . . . . 0.0 110.807 172.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.21 -24.81 11.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.051 0.929 . . . . 0.0 111.543 174.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.03 -27.7 63.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.658 0.742 . . . . 0.0 110.992 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.05 -36.25 62.88 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.738 -0.601 . . . . 0.0 111.368 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -48.58 -44.82 37.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.937 0.875 . . . . 0.0 110.739 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.805 HD22 ' CD2' ' A' ' 14' ' ' PHE . 71.0 mt -74.18 -89.59 0.03 OUTLIER 'General case' 0 C--O 1.246 0.898 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.605 172.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' A' ' 12' ' ' LYS . 0.6 OUTLIER 57.44 -86.99 0.02 OUTLIER 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.424 -0.798 . . . . 0.0 110.21 -172.364 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -40.47 -60.85 1.02 Allowed 'General case' 0 C--O 1.249 1.037 0 O-C-N 120.823 -1.173 . . . . 0.0 113.998 166.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.805 ' CD2' HD22 ' A' ' 11' ' ' LEU . 3.6 t80 -43.23 -19.03 0.02 OUTLIER 'General case' 0 C--O 1.259 1.6 0 O-C-N 120.292 -1.505 . . . . 0.0 114.751 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.79 -36.13 3.07 Favored Glycine 0 C--N 1.317 -0.528 0 CA-C-N 120.896 1.68 . . . . 0.0 110.981 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -47.17 -46.27 23.51 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.023 0.916 . . . . 0.0 111.192 172.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.629 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 91.4 m -74.14 -38.36 63.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.634 0.731 . . . . 0.0 111.562 -172.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -17.09 60.99 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.8 19.92 6.09 Favored 'General case' 0 C--O 1.245 0.845 0 O-C-N 121.337 -0.852 . . . . 0.0 112.583 174.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -123.17 -41.38 2.32 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.803 0.811 . . . . 0.0 110.817 171.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.629 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -84.73 -29.7 25.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.651 0.738 . . . . 0.0 111.387 -177.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -65.1 -24.11 67.34 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 121.184 0.516 . . . . 0.0 111.874 172.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -49.74 65.1 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.945 0.879 . . . . 0.0 111.221 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.84 -39.34 35.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.023 0.916 . . . . 0.0 110.917 -175.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.285 0.564 . . . . 0.0 111.555 172.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.3 mt -68.2 -31.11 50.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.789 0.804 . . . . 0.0 111.181 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -60.35 -35.66 76.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.906 0.86 . . . . 0.0 110.919 172.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -73.56 -30.15 62.87 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.396 0.617 . . . . 0.0 111.938 174.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -68.65 -32.66 55.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 122.068 0.937 . . . . 0.0 110.651 -172.729 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -49.94 -40.7 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.856 0.836 . . . . 0.0 111.084 172.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.563 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -91.84 44.67 1.18 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.503 0.668 . . . . 0.0 111.567 179.681 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.97 48.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.882 0.849 . . . . 0.0 111.191 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.34 29.93 7.02 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.746 -172.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.51 -81.42 0.42 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.645 1.212 . . . . 0.0 110.72 173.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.588 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER 96.51 16.34 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 125.925 1.69 . . . . 0.0 111.373 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 86.45 -20.4 0.24 Allowed 'General case' 0 C--O 1.246 0.882 0 C-N-CA 124.427 1.091 . . . . 0.0 112.397 171.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.41 -13.45 17.27 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.328 -0.858 . . . . 0.0 111.977 172.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.192 0 CA-C-O 121.929 0.871 . . . . 0.0 110.389 172.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.416 HG23 ' HD2' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.795 0 CA-C-O 121.883 0.849 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 1' ' ' THR . 84.0 Cg_exo -54.52 -157.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.528 1 C-N-CA 126.679 4.92 . . . . 0.0 114.993 175.103 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.8 101.28 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.005 0.907 . . . . 0.0 111.798 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 p -107.13 35.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.59 -38.15 7.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.889 0.852 . . . . 0.0 110.96 173.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -125.93 46.96 2.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.821 0.82 . . . . 0.0 110.984 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.83 -24.05 14.1 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.688 0.756 . . . . 0.0 112.132 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -69.7 -28.85 66.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.848 0.832 . . . . 0.0 110.909 172.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.65 -42.42 88.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.829 0.824 . . . . 0.0 110.984 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -36.03 64.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.925 0.869 . . . . 0.0 110.945 -173.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.754 ' CD1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -96.62 -80.58 0.43 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.894 0.854 . . . . 0.0 111.12 174.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 -95.09 0.05 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.309 -172.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.32 -0.863 . . . . 0.0 113.04 171.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.754 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 12.7 t80 -45.99 -10.69 0.02 OUTLIER 'General case' 0 C--O 1.258 1.521 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.53 -45.62 4.88 Favored Glycine 0 N--CA 1.464 0.55 0 CA-C-N 120.463 1.483 . . . . 0.0 111.915 172.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.01 -52.23 20.74 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.649 -0.912 . . . . 0.0 111.451 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -63.92 -30.27 71.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.344 0.593 . . . . 0.0 111.615 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -75.52 -24.75 56.84 Favored 'General case' 0 C--O 1.244 0.768 0 O-C-N 121.789 -0.569 . . . . 0.0 112.228 -174.197 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.35 -41.62 47.58 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.618 0.723 . . . . 0.0 111.526 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HA ' ' HG3' ' A' ' 23' ' ' ARG . 10.7 t0 -75.02 -15.82 60.63 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.058 0.456 . . . . 0.0 111.842 173.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -74.48 -51.75 13.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.897 0.856 . . . . 0.0 111.6 179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -67.88 -21.66 65.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.384 0.611 . . . . 0.0 111.75 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.513 ' HG3' ' HA ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -56.98 -75.33 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.997 0.903 . . . . 0.0 111.907 172.376 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 27' ' ' SER . 70.6 tt0 -52.17 -49.22 64.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.954 0.883 . . . . 0.0 112.26 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -26.74 67.42 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.75 -0.594 . . . . 0.0 111.494 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -68.37 -35.7 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.036 0.922 . . . . 0.0 111.224 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 13.3 t -60.07 -29.61 68.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.615 0.721 . . . . 0.0 111.213 172.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -80.75 -29.03 36.29 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.422 0.63 . . . . 0.0 111.973 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.99 49.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.929 0.871 . . . . 0.0 110.776 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.02 74.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.815 0.817 . . . . 0.0 111.019 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.67 51.12 1.81 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.738 0.78 . . . . 0.0 111.402 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -166.15 34.3 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 110.959 172.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.68 30.15 6.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.446 0.641 . . . . 0.0 111.708 -175.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -113.07 -39.85 4.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.885 0.85 . . . . 0.0 111.033 176.407 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.59 ' HB3' ' HB2' ' A' ' 38' ' ' MET . 0.2 OUTLIER 49.86 36.79 12.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.73 0.776 . . . . 0.0 111.059 -172.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.98 57.02 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.869 0.843 . . . . 0.0 110.939 172.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tttt 60.55 37.54 19.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.776 0.798 . . . . 0.0 111.036 175.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.59 ' HB2' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.171 0 CA-C-O 121.997 0.903 . . . . 0.0 110.98 173.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 121.938 0.875 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.9 -165.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.456 4.771 . . . . 0.0 114.795 176.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.706 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 48.3 t0 -51.47 99.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.865 0.841 . . . . 0.0 110.968 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 p -95.56 -25.96 4.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.531 0.682 . . . . 0.0 111.545 -175.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -55.07 -55.5 30.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.856 0.836 . . . . 0.0 110.941 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.07 35.16 2.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.636 0.731 . . . . 0.0 111.348 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -98.91 -19.35 17.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.469 0.652 . . . . 0.0 112.333 172.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 8' ' ' LEU . 1.2 tm? -75.91 -29.22 58.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.831 0.824 . . . . 0.0 110.966 172.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -48.32 -44.55 34.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.779 0.8 . . . . 0.0 111.04 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.13 -38.96 68.89 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.949 0.88 . . . . 0.0 110.965 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.56 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -71.28 -76.47 0.11 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.646 0.736 . . . . 0.0 110.83 177.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 21.94 57.03 0.02 OUTLIER 'General case' 0 C--O 1.246 0.873 0 C-N-CA 124.987 1.315 . . . . 0.0 113.75 -171.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.1 tp10 168.8 -81.3 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.027 -1.045 . . . . 0.0 110.175 -172.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -45.36 -24.75 0.32 Allowed 'General case' 0 C--O 1.26 1.631 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 168.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.47 -29.39 7.07 Favored Glycine 0 C--N 1.315 -0.584 0 CA-C-N 120.411 1.459 . . . . 0.0 110.764 -172.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -58.01 -34.89 70.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.82 0.819 . . . . 0.0 110.889 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.8 m -64.35 -29.35 70.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.256 0.551 . . . . 0.0 111.679 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.64 -45.94 49.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.822 0.82 . . . . 0.0 111.252 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -22.58 64.11 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.223 0.535 . . . . 0.0 111.922 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.75 -17.74 26.16 Favored 'General case' 0 C--O 1.246 0.873 0 O-C-N 121.552 -0.718 . . . . 0.0 112.456 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.66 57.07 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.36 -0.838 . . . . 0.0 111.622 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -83.89 -32.22 25.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.574 0.702 . . . . 0.0 111.481 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -59.23 2.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.924 0.869 . . . . 0.0 111.089 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -57.07 -47.92 79.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.773 0.796 . . . . 0.0 111.963 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -30.27 61.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.378 0.609 . . . . 0.0 111.444 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.14 -33.39 58.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.058 0.932 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 t -61.74 -29.24 69.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.591 0.71 . . . . 0.0 111.332 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -81.38 -28.3 34.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.397 0.618 . . . . 0.0 111.94 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -33.26 23.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.882 0.849 . . . . 0.0 111.109 -172.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HD3' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -76.13 -35.23 59.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.88 0.848 . . . . 0.0 111.333 -172.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.48 30.85 1.42 Allowed 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.878 -0.514 . . . . 0.0 112.356 -172.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -167.95 30.59 0.03 OUTLIER 'General case' 0 C--O 1.245 0.844 0 O-C-N 121.77 -0.581 . . . . 0.0 112.224 176.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.45 22.96 2.73 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 176.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 34' ' ' LEU . 2.1 pt? -84.28 -45.16 13.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 172.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.47 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -154.71 29.16 0.43 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 123.86 1.79 . . . . 0.0 108.386 176.002 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 32' ' ' SER . . . -52.16 -64.02 0.95 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 113.547 -1.66 . . . . 0.0 111.396 -166.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.39 -7.06 5.82 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.416 172.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.16 0 O-C-N 121.17 -0.956 . . . . 0.0 111.015 -171.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 121.934 0.873 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.55 -161.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.521 1 C-N-CA 126.459 4.773 . . . . 0.0 114.853 176.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -50.47 105.31 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.916 0.865 . . . . 0.0 111.021 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 4' ' ' VAL . 3.5 p -98.47 37.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.782 0.801 . . . . 0.0 111.056 178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -108.48 -32.81 7.26 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.859 0.838 . . . . 0.0 111.005 172.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -125.68 36.36 4.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.819 0.819 . . . . 0.0 111.065 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.52 -22.1 15.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.789 0.805 . . . . 0.0 112.149 172.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 8' ' ' LEU . 10.1 tt -70.94 -28.6 64.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.643 0.735 . . . . 0.0 111.264 172.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -52.22 -38.53 58.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.548 0.69 . . . . 0.0 111.106 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.33 -40.72 62.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.872 0.844 . . . . 0.0 110.924 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.65 HD22 ' CD2' ' A' ' 14' ' ' PHE . 74.9 mt -70.29 -95.59 0.01 OUTLIER 'General case' 0 C--O 1.243 0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.621 173.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.74 -87.5 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.614 -0.679 . . . . 0.0 111.492 -175.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -39.55 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.483 -0.761 . . . . 0.0 112.841 173.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.65 ' CD2' HD22 ' A' ' 11' ' ' LEU . 2.1 t80 -42.35 -23.6 0.04 OUTLIER 'General case' 0 C--O 1.258 1.505 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -173.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.83 -43.3 6.46 Favored Glycine 0 C--N 1.317 -0.505 0 CA-C-N 120.141 1.337 . . . . 0.0 110.795 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -35.27 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.866 -0.785 . . . . 0.0 111.241 172.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.6 m -55.63 -46.79 77.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.925 0.869 . . . . 0.0 110.929 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 18' ' ' LEU . 1.1 mt -61.71 -36.49 81.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.852 0.834 . . . . 0.0 110.988 177.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG3' HH11 ' A' ' 23' ' ' ARG . 2.9 tp10 -95.84 31.83 2.01 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.561 0.696 . . . . 0.0 111.943 -175.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.84 -49.32 1.04 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.951 0.881 . . . . 0.0 111.025 172.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -22.97 24.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.419 0.628 . . . . 0.0 111.51 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -74.98 -18.03 60.44 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.695 -0.628 . . . . 0.0 111.978 172.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -59.51 -43.71 93.32 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.467 -0.771 . . . . 0.0 111.241 172.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.0 -41.59 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.909 0.862 . . . . 0.0 111.146 -172.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -64.66 -23.88 67.4 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.272 0.558 . . . . 0.0 111.693 174.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.598 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.9 mt -66.79 -26.84 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.265 177.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -64.77 -37.78 88.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.928 0.87 . . . . 0.0 110.916 172.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.56 -30.06 68.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.352 0.596 . . . . 0.0 111.709 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.693 HD11 HD21 ' A' ' 25' ' ' LEU . 1.6 mt -68.74 -39.81 80.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.926 0.869 . . . . 0.0 110.738 -173.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HD2' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -57.06 -31.82 65.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.498 0.666 . . . . 0.0 111.444 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.31 28.17 1.5 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 36.42 0.01 OUTLIER 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 111.842 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.75 22.42 3.6 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.41 0.624 . . . . 0.0 112.082 173.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.095 HD12 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -61.23 -35.17 76.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.692 0.758 . . . . 0.0 111.476 -172.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.62 26.58 5.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.261 1.029 . . . . 0.0 110.282 -170.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.095 ' HB3' HD12 ' A' ' 34' ' ' LEU . . . -108.1 36.54 2.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.909 0.862 . . . . 0.0 111.021 -172.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 58.68 4.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.975 0.893 . . . . 0.0 110.935 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.678 ' HG3' HD21 ' A' ' 34' ' ' LEU . 1.7 tmm? . . . . . 0 C--O 1.27 2.149 0 CA-C-O 122.016 0.912 . . . . 0.0 111.009 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.828 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.379 0.609 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 1' ' ' THR . 63.2 Cg_exo -57.4 -151.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.531 3.705 1 C-N-CA 126.28 4.653 . . . . 0.0 114.259 174.405 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.55 -56.72 2.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.102 0.954 . . . . 0.0 111.127 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p 48.44 26.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.991 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.42 -49.59 1.18 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.94 0.876 . . . . 0.0 110.685 -175.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -100.48 31.67 3.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.721 0.772 . . . . 0.0 110.921 172.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.36 -22.57 17.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.87 0.843 . . . . 0.0 112.026 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -78.46 -27.89 46.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.741 0.782 . . . . 0.0 110.989 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -48.93 -40.39 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.739 0.781 . . . . 0.0 111.124 172.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -53.12 -40.01 63.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.813 0.816 . . . . 0.0 110.961 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD22 ' CD2' ' A' ' 14' ' ' PHE . 87.8 mt -77.1 -94.94 0.03 OUTLIER 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.586 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.85 -88.53 0.02 OUTLIER 'General case' 0 C--O 1.243 0.752 0 O-C-N 121.453 -0.779 . . . . 0.0 111.274 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -72.72 0.06 Allowed 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 172.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 1.033 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -33.95 -35.87 0.03 OUTLIER 'General case' 0 C--O 1.251 1.18 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -178.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.41 -42.01 10.87 Favored Glycine 0 C--N 1.318 -0.448 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -43.53 -37.61 2.55 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.807 -0.82 . . . . 0.0 111.596 171.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -66.82 -42.12 86.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.873 0.844 . . . . 0.0 110.912 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.0 mt -60.22 -32.27 70.96 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.53 0.681 . . . . 0.0 111.237 172.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.54 31.11 2.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.439 0.638 . . . . 0.0 111.882 -173.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -139.81 -45.46 0.44 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.833 0.825 . . . . 0.0 110.975 172.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -12.63 36.63 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -88.11 -4.98 58.69 Favored 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.399 -0.813 . . . . 0.0 112.657 172.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -67.91 -47.38 68.95 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.319 -0.863 . . . . 0.0 111.173 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.04 -41.83 70.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 110.955 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -72.16 -22.34 61.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.339 0.59 . . . . 0.0 111.688 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.57 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.4 mt -60.06 -26.1 35.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.534 0.683 . . . . 0.0 111.448 172.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.85 91.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.987 0.898 . . . . 0.0 110.697 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -65.14 -29.31 70.14 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.388 0.613 . . . . 0.0 111.679 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.2 mt -70.5 -37.82 71.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 122.258 1.028 . . . . 0.0 110.621 -173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.87 63.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.946 0.879 . . . . 0.0 111.046 172.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.02 35.05 1.3 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.546 0.688 . . . . 0.0 111.783 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -173.42 60.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.757 0.789 . . . . 0.0 110.939 175.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -124.44 30.16 6.1 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 121.846 -0.534 . . . . 0.0 112.345 -172.045 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.047 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -115.84 -40.67 3.3 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.612 -0.68 . . . . 0.0 111.58 172.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 53.76 27.89 7.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.744 1.259 . . . . 0.0 109.726 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.047 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -72.64 -65.96 0.72 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 122.264 1.031 . . . . 0.0 110.9 -171.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.1 34.0 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.728 0.775 . . . . 0.0 110.89 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.2 0 CA-C-O 121.975 0.893 . . . . 0.0 110.63 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.782 HG22 ' HB3' ' A' ' 5' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.729 0 CA-C-O 122.025 0.917 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -57.37 -157.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.543 1 C-N-CA 126.333 4.689 . . . . 0.0 114.215 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.32 -14.83 29.96 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.887 -0.508 . . . . 0.0 112.167 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.23 45.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.334 -0.854 . . . . 0.0 112.122 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.782 ' HB3' HG22 ' A' ' 1' ' ' THR . 0.0 OUTLIER -90.66 -39.54 12.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 173.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -119.06 41.65 3.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.881 0.848 . . . . 0.0 111.06 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.96 -23.16 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 112.064 172.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.866 HD11 ' NZ ' ' A' ' 12' ' ' LYS . 2.2 tm? -66.86 -30.84 71.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.775 0.798 . . . . 0.0 111.117 172.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -54.63 -33.35 60.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.64 0.733 . . . . 0.0 111.252 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -70.25 -34.49 72.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.86 0.838 . . . . 0.0 110.866 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -106.22 34.69 3.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.605 0.717 . . . . 0.0 111.136 172.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.866 ' NZ ' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.67 -76.3 0.02 OUTLIER 'General case' 0 C--O 1.248 0.99 0 CA-C-O 121.253 0.549 . . . . 0.0 111.879 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -39.21 -71.92 0.07 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 120.844 -1.16 . . . . 0.0 113.48 171.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -38.54 -27.6 0.02 OUTLIER 'General case' 0 C--O 1.255 1.391 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.425 ' O ' HD23 ' A' ' 18' ' ' LEU . . . -79.0 -47.55 7.55 Favored Glycine 0 C--N 1.317 -0.501 0 O-C-N 120.809 -1.182 . . . . 0.0 110.681 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -41.38 -47.08 3.5 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.735 -0.862 . . . . 0.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 2.8 m -56.78 -48.11 78.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.543 0.687 . . . . 0.0 111.541 -172.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -74.54 -24.82 59.0 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.288 0.566 . . . . 0.0 111.644 -172.787 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -85.21 11.45 9.93 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -114.22 -46.92 2.96 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.82 0.819 . . . . 0.0 111.082 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.43 -24.05 60.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.542 0.686 . . . . 0.0 111.556 178.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.66 74.04 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.421 0.629 . . . . 0.0 111.582 173.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -47.6 60.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.698 0.761 . . . . 0.0 111.242 -172.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -78.62 -37.26 42.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.999 0.904 . . . . 0.0 110.822 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -27.6 64.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.426 0.631 . . . . 0.0 111.389 172.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.476 HG23 ' HE2' ' A' ' 30' ' ' LYS . 1.2 mt -66.9 -31.82 55.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.786 0.803 . . . . 0.0 111.106 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -32.34 73.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.08 0.943 . . . . 0.0 110.844 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -71.1 -27.5 63.64 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.163 173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -29.78 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.952 0.882 . . . . 0.0 111.031 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.29 -36.94 64.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.826 0.822 . . . . 0.0 111.001 172.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -93.02 45.81 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.524 0.678 . . . . 0.0 111.617 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p 179.08 56.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.828 0.823 . . . . 0.0 111.124 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -112.44 27.88 9.26 Favored 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.621 -0.675 . . . . 0.0 112.291 -172.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.05 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.77 -39.13 2.55 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.463 -0.773 . . . . 0.0 111.984 172.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.17 25.44 10.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.172 0.987 . . . . 0.0 110.218 -170.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.05 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -64.72 -63.86 1.01 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.066 0.936 . . . . 0.0 110.83 -172.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -152.14 31.42 0.54 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.952 0.882 . . . . 0.0 110.719 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 121.945 0.878 . . . . 0.0 110.803 -172.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.913 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 121.804 0.811 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' A' ' 1' ' ' THR . 71.2 Cg_exo -55.39 -157.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.555 1 C-N-CA 126.469 4.779 . . . . 0.0 114.732 174.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 4' ' ' VAL . 20.2 t0 -44.8 -34.25 2.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.553 0.692 . . . . 0.0 111.325 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 3' ' ' ASP . 1.4 p 48.83 33.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.726 0.774 . . . . 0.0 111.294 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -140.0 -41.96 0.43 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.061 0.934 . . . . 0.0 110.67 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -112.26 32.33 5.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.804 0.812 . . . . 0.0 110.861 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.24 -21.9 25.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.831 0.824 . . . . 0.0 112.041 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -29.69 66.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.915 0.864 . . . . 0.0 110.905 172.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -56.1 -33.0 64.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.891 0.853 . . . . 0.0 110.883 172.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -73.96 -35.05 64.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.68 0.752 . . . . 0.0 110.972 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.798 ' CD1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -98.15 36.93 1.5 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.397 1.094 . . . . 0.0 111.299 -178.635 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 56.24 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.991 0.901 . . . . 0.0 109.942 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 178.46 -83.55 0.0 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.767 -0.583 . . . . 0.0 110.361 -170.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.798 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 2.0 t80 -40.64 -24.32 0.02 OUTLIER 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.28 -39.28 6.89 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-N 120.293 1.406 . . . . 0.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -52.3 -29.33 22.8 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.792 -0.828 . . . . 0.0 111.716 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 54.2 m -64.99 -34.82 79.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.914 0.864 . . . . 0.0 111.059 -174.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 18' ' ' LEU . 1.3 mt -64.28 -27.87 69.34 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.355 0.598 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.522 0.677 . . . . 0.0 112.093 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -134.86 -56.54 0.82 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.271 1.034 . . . . 0.0 110.919 172.38 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.88 -24.57 59.75 Favored 'General case' 0 C--O 1.244 0.806 0 O-C-N 121.693 -0.629 . . . . 0.0 111.935 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -70.24 -21.89 62.95 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.532 -0.73 . . . . 0.0 111.558 174.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -58.71 -43.72 90.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.67 0.748 . . . . 0.0 111.039 172.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.32 -41.33 40.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.879 0.847 . . . . 0.0 111.031 -172.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.64 -23.62 67.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.266 0.555 . . . . 0.0 111.837 174.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.88 -30.96 43.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.597 0.713 . . . . 0.0 111.219 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -32.87 74.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.302 1.049 . . . . 0.0 110.521 172.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -70.8 -29.82 66.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.663 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.78 -33.44 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.063 0.935 . . . . 0.0 110.603 -173.492 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -56.14 -34.15 65.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.731 0.777 . . . . 0.0 111.072 173.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 45.14 1.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.577 0.703 . . . . 0.0 111.548 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 40.92 0.14 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.128 0.966 . . . . 0.0 110.7 172.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.41 29.87 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.13 0.967 . . . . 0.0 111.447 -172.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 35' ' ' SER . 1.6 pt? -65.7 -12.24 51.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -172.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 87.27 26.96 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 122.249 1.023 . . . . 0.0 110.175 -172.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 67.42 78.18 0.25 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.932 0.872 . . . . 0.0 110.987 170.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' H ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 53.3 34.41 17.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.625 0.726 . . . . 0.0 111.331 179.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.156 0 CA-C-O 121.969 0.89 . . . . 0.0 110.663 172.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.214 -0.765 0 CA-C-O 121.974 0.892 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.63 -155.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.603 1 C-N-CA 126.587 4.858 . . . . 0.0 114.65 175.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 6' ' ' SER . 24.2 t70 -43.31 99.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.09 0.947 . . . . 0.0 111.64 172.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' A' ' 5' ' ' SER . 9.5 p -90.55 153.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.531 0.681 . . . . 0.0 110.592 172.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.739 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 2.0 m 91.89 -31.42 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.235 1.014 . . . . 0.0 110.795 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.536 ' HB2' ' OD2' ' A' ' 3' ' ' ASP . 22.8 m -110.48 29.15 7.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.787 0.803 . . . . 0.0 110.839 171.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.67 -24.44 10.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.901 0.858 . . . . 0.0 111.962 -175.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.04 -19.93 56.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.424 0.63 . . . . 0.0 111.757 172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -49.01 -40.85 32.45 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.572 -0.705 . . . . 0.0 111.344 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -33.18 73.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.711 0.767 . . . . 0.0 110.85 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 16.92 13.92 Favored 'General case' 0 C--O 1.25 1.125 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -69.21 154.72 41.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.108 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 4.6 tp10 76.11 -68.75 0.18 Allowed 'General case' 0 C--N 1.316 -0.853 0 O-C-N 120.736 -1.227 . . . . 0.0 110.288 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -35.3 -31.64 0.02 OUTLIER 'General case' 0 C--O 1.256 1.399 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 171.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.84 -51.35 3.43 Favored Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.82 -1.175 . . . . 0.0 111.036 -174.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -48.13 -36.32 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.002 0.906 . . . . 0.0 111.982 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -70.28 -39.01 75.16 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.67 0.748 . . . . 0.0 111.388 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -63.8 -27.42 69.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.417 0.627 . . . . 0.0 111.55 176.38 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.4 32.07 2.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.577 0.703 . . . . 0.0 112.052 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -136.75 -48.72 0.63 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.88 0.847 . . . . 0.0 111.119 172.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -81.15 -20.19 41.83 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.373 0.606 . . . . 0.0 111.78 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -72.58 -23.11 60.92 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.536 -0.727 . . . . 0.0 111.923 172.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.15 86.82 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.576 -0.703 . . . . 0.0 111.451 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -80.82 -39.62 26.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.998 0.904 . . . . 0.0 110.933 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.45 -21.32 62.19 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.29 0.567 . . . . 0.0 112.111 172.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.2 mt -70.32 -35.19 61.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.635 0.731 . . . . 0.0 111.4 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -31.44 72.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.144 0.973 . . . . 0.0 110.752 172.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.02 -30.51 66.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.391 0.615 . . . . 0.0 111.81 172.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -33.72 41.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.981 0.896 . . . . 0.0 110.886 -172.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -40.81 80.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.81 0.814 . . . . 0.0 111.168 174.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.34 38.18 1.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.542 0.687 . . . . 0.0 111.693 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' HD23 ' A' ' 34' ' ' LEU . 1.6 t -164.09 -89.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.765 1.269 . . . . 0.0 110.184 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.67 24.64 5.41 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.384 169.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD23 ' OG ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -92.69 -35.84 13.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.009 0.909 . . . . 0.0 110.696 172.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.607 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.4 OUTLIER 69.82 11.99 7.88 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 172.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 85.66 -28.61 0.07 Allowed 'General case' 0 C--O 1.246 0.92 0 C-N-CA 124.034 0.934 . . . . 0.0 112.491 172.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 -27.93 8.78 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.246 -0.909 . . . . 0.0 110.867 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.196 0 CA-C-O 121.982 0.896 . . . . 0.0 110.983 172.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.905 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 121.637 0.732 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.905 ' HD2' HG22 ' A' ' 1' ' ' THR . 73.2 Cg_exo -55.16 -157.2 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.429 4.753 . . . . 0.0 114.818 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' HG12 ' A' ' 4' ' ' VAL . 22.8 t0 -44.21 -39.09 4.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.644 0.735 . . . . 0.0 111.338 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 3' ' ' ASP . 1.4 p 49.97 29.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.832 0.825 . . . . 0.0 111.413 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.63 -45.6 0.45 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.987 0.899 . . . . 0.0 110.793 -174.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 30.04 5.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.588 0.709 . . . . 0.0 110.987 172.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.23 -27.39 18.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.441 1.115 . . . . 0.0 111.455 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -40.39 69.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.406 1.098 . . . . 0.0 111.64 171.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -53.18 -39.91 63.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.526 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -66.48 -35.75 81.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.743 0.782 . . . . 0.0 110.95 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HB3' ' HD2' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -101.61 23.45 11.18 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.623 -0.673 . . . . 0.0 111.675 171.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -36.57 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 171.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 2.5 t80 -41.38 -27.19 0.08 Allowed 'General case' 0 C--O 1.256 1.403 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.61 ' HA2' HD23 ' A' ' 18' ' ' LEU . . . -89.3 -38.34 6.76 Favored Glycine 0 C--N 1.316 -0.53 0 O-C-N 120.717 -1.24 . . . . 0.0 110.653 -174.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -52.0 -41.61 62.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.9 0.857 . . . . 0.0 110.918 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.7 HG22 ' HD3' ' A' ' 21' ' ' LYS . 12.5 m -70.04 -35.81 74.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.921 0.867 . . . . 0.0 111.008 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -69.22 -17.58 63.8 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 176.282 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.66 ' HG2' ' NH1' ' A' ' 23' ' ' ARG . 4.7 tt0 -101.78 30.95 4.07 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.533 -0.73 . . . . 0.0 111.996 177.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -137.02 -43.9 0.57 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.991 0.9 . . . . 0.0 110.812 172.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.7 ' HD3' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -73.62 -26.19 60.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.68 0.752 . . . . 0.0 111.108 172.42 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.863 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -89.53 24.53 2.25 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 172.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.66 ' NH1' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -112.21 -32.66 6.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.001 0.905 . . . . 0.0 110.724 171.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -91.49 -38.9 12.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.608 0.718 . . . . 0.0 111.184 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -28.28 68.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.334 0.588 . . . . 0.0 111.488 176.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -68.44 -29.56 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.624 0.726 . . . . 0.0 111.436 179.26 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -66.81 -33.41 75.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.083 0.944 . . . . 0.0 110.882 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -28.04 63.43 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 121.29 0.567 . . . . 0.0 111.994 172.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -32.32 22.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.865 0.841 . . . . 0.0 111.029 -173.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -63.45 -37.59 87.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.818 0.818 . . . . 0.0 110.989 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.54 48.75 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.717 0.77 . . . . 0.0 111.46 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.14 53.4 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.197 0.999 . . . . 0.0 110.896 172.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.92 26.76 6.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.588 0.708 . . . . 0.0 111.671 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -53.34 -39.59 64.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.807 0.813 . . . . 0.0 111.239 -173.197 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m 48.22 35.09 5.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 -172.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.93 53.04 1.47 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.874 0.845 . . . . 0.0 110.921 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttt 57.77 36.22 26.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.826 0.822 . . . . 0.0 110.955 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.179 0 CA-C-O 121.948 0.88 . . . . 0.0 110.717 178.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.651 ' CG2' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.713 0 CA-C-O 121.918 0.866 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.14 -168.57 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.568 1 C-N-CA 126.363 4.709 . . . . 0.0 114.722 178.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.52 101.41 0.24 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.884 0.85 . . . . 0.0 110.948 173.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.651 HG22 ' CG2' ' A' ' 1' ' ' THR . 0.2 OUTLIER -94.15 26.58 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-O 121.163 0.506 . . . . 0.0 112.059 -178.002 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.5 -32.92 9.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.926 0.87 . . . . 0.0 110.864 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -128.64 40.0 3.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.828 0.823 . . . . 0.0 110.996 172.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.8 -25.03 24.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.778 0.799 . . . . 0.0 112.072 177.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 8' ' ' LEU . 3.2 tm? -75.11 -29.97 60.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.15 0.976 . . . . 0.0 110.772 172.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -51.22 -36.49 41.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.877 0.846 . . . . 0.0 111.24 172.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -40.42 89.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.942 0.877 . . . . 0.0 110.992 -178.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 14' ' ' PHE . 1.2 mm? -77.58 -19.61 55.36 Favored 'General case' 0 C--O 1.251 1.132 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.032 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.714 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -50.87 152.11 2.25 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.138 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.714 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.6 mt-10 73.18 -76.36 0.07 Allowed 'General case' 0 C--N 1.316 -0.888 0 O-C-N 120.618 -1.301 . . . . 0.0 110.722 -167.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.686 ' HD2' HD12 ' A' ' 11' ' ' LEU . 88.5 t80 -46.87 -12.23 0.02 OUTLIER 'General case' 0 C--O 1.259 1.597 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.26 3.18 Favored Glycine 0 C--N 1.315 -0.608 0 CA-C-N 120.763 1.619 . . . . 0.0 110.977 172.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -51.76 -32.37 30.5 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.97 -0.724 . . . . 0.0 111.61 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.647 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 53.6 m -61.87 -39.8 93.14 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.725 0.774 . . . . 0.0 111.13 -173.253 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.84 -30.67 71.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.664 0.745 . . . . 0.0 111.327 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -94.59 29.52 2.27 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.745 -0.597 . . . . 0.0 112.161 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -134.73 -38.95 0.8 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 111.642 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.647 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -81.43 -26.03 35.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.455 0.645 . . . . 0.0 111.396 174.732 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.14 24.29 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.007 0.908 . . . . 0.0 111.07 172.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -28.47 66.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.294 0.569 . . . . 0.0 111.457 175.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -83.73 -46.09 12.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.702 0.763 . . . . 0.0 111.883 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -60.23 -21.14 61.46 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.858 -0.526 . . . . 0.0 112.166 172.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.526 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -70.2 -34.79 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.74 0.781 . . . . 0.0 111.148 172.409 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -63.92 -29.38 70.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.155 0.978 . . . . 0.0 110.701 171.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -27.88 56.62 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.355 0.598 . . . . 0.0 111.917 172.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -67.45 -33.99 65.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 122.591 1.186 . . . . 0.0 110.016 -176.595 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -65.94 -30.94 71.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.164 0.983 . . . . 0.0 110.744 172.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.91 51.65 2.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.462 0.649 . . . . 0.0 111.603 172.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -171.39 41.19 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.459 0.647 . . . . 0.0 111.572 178.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.37 20.46 5.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.656 0.741 . . . . 0.0 112.939 -173.162 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.81 -83.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 123.159 1.457 . . . . 0.0 112.371 171.06 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.827 ' HB2' ' HB3' ' A' ' 38' ' ' MET . 1.2 m 83.01 29.87 0.09 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.949 1.357 . . . . 0.0 109.456 -169.164 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.86 65.16 1.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 122.045 0.926 . . . . 0.0 110.922 -177.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.54 32.24 16.59 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.597 0.713 . . . . 0.0 111.467 174.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.827 ' HB3' ' HB2' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 121.963 0.887 . . . . 0.0 110.728 172.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.862 HG22 ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 121.543 0.687 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.862 ' HD2' HG22 ' A' ' 1' ' ' THR . 77.5 Cg_exo -56.27 -156.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.583 1 C-N-CA 126.273 4.648 . . . . 0.0 114.487 174.564 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -56.35 93.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.989 0.9 . . . . 0.0 110.861 172.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.944 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -76.74 1.91 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.952 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.791 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 m -62.78 -46.54 87.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.23 1.014 . . . . 0.0 110.385 171.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 37.72 1.6 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.094 0.95 . . . . 0.0 110.416 171.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.944 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . . . -81.53 139.36 35.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.497 1.142 . . . . 0.0 110.672 172.379 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER 38.56 30.9 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.929 1.823 . . . . 0.0 112.842 -171.637 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -83.93 -41.46 17.35 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.276 173.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -46.58 -46.49 19.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.537 0.684 . . . . 0.0 111.541 177.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.863 HD22 ' HD2' ' A' ' 14' ' ' PHE . 78.1 mt -70.86 -96.34 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.952 -0.468 . . . . 0.0 110.612 178.513 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER 26.34 58.74 0.07 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.301 1.04 . . . . 0.0 113.04 -171.41 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.0 tp10 168.18 -80.39 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 120.819 -1.176 . . . . 0.0 110.17 -170.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.863 ' HD2' HD22 ' A' ' 11' ' ' LEU . 44.3 t80 -47.22 -12.07 0.03 OUTLIER 'General case' 0 C--O 1.26 1.617 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 169.091 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.873 ' HA2' HD23 ' A' ' 18' ' ' LEU . . . -88.42 -44.15 5.35 Favored Glycine 0 C--N 1.315 -0.598 0 CA-C-N 120.689 1.586 . . . . 0.0 111.263 172.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.11 -40.94 34.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.858 0.837 . . . . 0.0 111.43 179.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.443 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 86.6 m -71.03 -31.75 68.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.836 0.827 . . . . 0.0 111.099 -173.097 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.873 HD23 ' HA2' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -69.75 -18.32 63.5 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.193 0.521 . . . . 0.0 112.065 176.449 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.34 30.39 1.71 Allowed 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.529 -0.732 . . . . 0.0 112.102 172.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -128.37 -39.15 1.71 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.014 0.911 . . . . 0.0 110.76 171.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HE2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -80.47 -27.86 37.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.518 0.675 . . . . 0.0 111.485 172.665 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -63.62 -26.85 68.87 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 121.841 -0.537 . . . . 0.0 111.88 174.423 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -51.01 61.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.649 -0.657 . . . . 0.0 111.343 -175.339 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.94 -40.56 60.74 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.995 0.902 . . . . 0.0 110.88 -176.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.53 -26.54 63.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 0.0 111.8 172.679 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.1 mt -69.89 -28.83 38.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 0.0 111.104 -175.371 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -31.51 71.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.861 0.839 . . . . 0.0 111.009 172.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -28.64 61.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.365 0.602 . . . . 0.0 112.045 174.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -37.16 24.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.925 0.869 . . . . 0.0 111.024 -172.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -57.96 -37.78 74.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.24 1.019 . . . . 0.0 110.85 -176.372 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.14 39.71 1.05 Allowed 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.2 -172.262 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 p 177.02 46.85 0.0 OUTLIER 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.386 0.612 . . . . 0.0 111.933 178.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.87 26.75 5.23 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 178.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -128.47 -41.45 1.54 Allowed 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.527 -0.733 . . . . 0.0 112.098 172.174 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m 57.5 28.81 16.08 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.987 1.375 . . . . 0.0 109.371 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.789 ' HB3' HD12 ' A' ' 34' ' ' LEU . . . -92.05 19.37 6.85 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.242 -171.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.53 27.3 0.61 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.748 0.785 . . . . 0.0 111.102 -171.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.446 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.156 0 CA-C-O 121.967 0.889 . . . . 0.0 111.087 -172.566 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 121.975 0.893 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 -165.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.561 1 C-N-CA 126.421 4.747 . . . . 0.0 114.774 177.597 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -52.86 99.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.894 0.854 . . . . 0.0 111.018 174.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -22.42 24.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.284 179.324 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -58.61 -47.56 83.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.734 0.778 . . . . 0.0 110.894 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -112.1 35.39 3.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.651 0.739 . . . . 0.0 111.336 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.92 -22.03 18.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.539 0.685 . . . . 0.0 112.373 172.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -22.71 43.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.516 0.674 . . . . 0.0 111.748 173.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -49.59 -35.98 22.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.574 0.702 . . . . 0.0 111.389 172.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -69.04 -34.94 76.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.885 0.85 . . . . 0.0 110.96 -175.066 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -83.65 5.94 22.68 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.297 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -89.06 58.73 4.67 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.254 -0.904 . . . . 0.0 110.846 172.023 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.1 tp10 172.57 -82.06 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.298 -0.876 . . . . 0.0 110.231 -171.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -45.19 -12.95 0.02 OUTLIER 'General case' 0 C--O 1.26 1.619 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 168.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.26 -45.2 4.47 Favored Glycine 0 N--CA 1.465 0.601 0 CA-C-N 120.614 1.552 . . . . 0.0 111.757 172.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -49.59 -33.47 15.2 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.777 -0.837 . . . . 0.0 112.04 175.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 27.6 m -58.8 -36.01 73.77 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.631 0.729 . . . . 0.0 111.556 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.58 -41.55 96.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.895 0.855 . . . . 0.0 111.36 178.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.15 31.81 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.465 0.65 . . . . 0.0 112.273 -172.399 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.59 -51.49 0.22 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.124 0.964 . . . . 0.0 110.871 172.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.23 -35.07 66.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.646 0.736 . . . . 0.0 111.197 172.628 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -73.17 -31.69 64.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.807 0.813 . . . . 0.0 111.082 -172.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -61.62 -38.01 86.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.706 0.765 . . . . 0.0 111.096 178.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.36 -41.32 40.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.886 0.851 . . . . 0.0 110.976 -173.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.567 HD12 HH21 ' A' ' 28' ' ' ARG . 0.1 OUTLIER -66.1 -24.1 66.63 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.118 174.886 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.4 mt -67.37 -26.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.639 0.733 . . . . 0.0 111.048 -177.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -43.0 73.44 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.348 1.07 . . . . 0.0 110.272 171.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.567 HH21 HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.48 -31.87 56.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.546 0.689 . . . . 0.0 111.881 171.774 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -33.99 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.897 0.856 . . . . 0.0 110.829 -172.091 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.679 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -57.34 -40.79 78.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.997 0.903 . . . . 0.0 110.991 179.329 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.679 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.1 tt0 -92.96 36.74 1.03 Allowed 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.21 0.528 . . . . 0.0 111.911 -172.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -167.77 27.88 0.03 OUTLIER 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.746 -0.596 . . . . 0.0 112.143 -172.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -135.24 19.63 3.41 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -176.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.727 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.9 pt? -74.14 -42.61 59.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -156.44 27.32 0.34 Allowed 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.216 1.96 . . . . 0.0 108.749 172.447 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.69 -69.96 0.14 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.011 -167.199 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.53 27.75 1.51 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.939 0.876 . . . . 0.0 110.638 172.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.183 0 CA-C-O 121.965 0.888 . . . . 0.0 110.756 -172.443 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 121.935 0.874 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.47 -168.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.516 1 C-N-CA 126.401 4.734 . . . . 0.0 114.817 177.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.822 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 14.2 t70 -59.57 95.76 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.897 0.856 . . . . 0.0 110.985 173.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.0 p -96.39 -27.75 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.529 0.681 . . . . 0.0 111.442 -172.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -59.28 -42.73 91.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.771 0.796 . . . . 0.0 110.959 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -114.23 36.4 3.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.738 0.78 . . . . 0.0 111.278 177.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.822 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -94.97 -24.46 16.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.7 0.762 . . . . 0.0 112.086 172.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 tp -61.81 -34.95 76.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.808 0.813 . . . . 0.0 110.914 172.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -53.27 -38.09 62.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -176.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -54.02 -36.8 63.39 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.899 0.857 . . . . 0.0 110.925 -173.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -86.19 -90.12 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 110.573 172.209 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.16 -86.62 0.02 OUTLIER 'General case' 0 C--O 1.243 0.724 0 O-C-N 121.962 -0.461 . . . . 0.0 111.048 -173.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.08 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.496 -0.753 . . . . 0.0 112.811 172.057 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.23 -24.74 0.03 OUTLIER 'General case' 0 C--O 1.257 1.47 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -175.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.02 -43.16 6.81 Favored Glycine 0 C--N 1.317 -0.525 0 CA-C-N 119.987 1.267 . . . . 0.0 110.888 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -49.38 -34.02 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.732 0.777 . . . . 0.0 111.288 174.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -64.13 -40.05 95.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.766 0.793 . . . . 0.0 111.023 -178.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.03 -34.73 72.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.678 0.752 . . . . 0.0 111.154 174.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.7 31.12 2.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.435 0.636 . . . . 0.0 112.039 -172.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -139.91 -46.98 0.44 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.903 0.858 . . . . 0.0 110.943 172.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.78 73.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.552 0.691 . . . . 0.0 111.372 174.776 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.69 62.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.376 0.608 . . . . 0.0 111.501 -175.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.39 90.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.637 0.732 . . . . 0.0 111.236 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.48 -40.6 70.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.033 0.921 . . . . 0.0 111.022 -174.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -27.79 68.96 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.259 0.552 . . . . 0.0 111.81 173.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.9 -27.14 29.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.683 0.754 . . . . 0.0 111.28 -173.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.738 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 1.4 t -71.46 -34.53 70.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.845 0.831 . . . . 0.0 110.989 172.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.29 -26.02 65.44 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.265 0.555 . . . . 0.0 111.844 172.402 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.467 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -83.4 -32.06 8.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.61 0.719 . . . . 0.0 111.209 -174.281 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HG3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -62.49 -36.05 81.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.948 0.88 . . . . 0.0 110.962 -178.214 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.642 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -93.97 33.98 1.28 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.855 -0.528 . . . . 0.0 112.38 -172.172 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -161.05 25.23 0.14 Allowed 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.742 -0.599 . . . . 0.0 112.371 -175.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -130.29 30.14 4.79 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.566 -0.709 . . . . 0.0 112.201 -173.074 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.105 HD12 ' HB2' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -62.91 -32.82 74.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.525 0.679 . . . . 0.0 111.36 175.862 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.55 30.31 12.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.469 0.652 . . . . 0.0 111.335 -172.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.105 ' HB2' HD12 ' A' ' 34' ' ' LEU . . . -56.61 -64.44 0.87 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.968 0.89 . . . . 0.0 110.812 176.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 38' ' ' MET . 12.0 pttt -111.81 -39.79 4.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.85 0.833 . . . . 0.0 110.934 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.484 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.187 0 CA-C-O 122.04 0.924 . . . . 0.0 110.954 -173.436 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.214 -0.767 0 CA-C-O 121.987 0.899 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -52.93 -168.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.528 3.526 1 C-N-CA 126.498 4.799 . . . . 0.0 114.792 176.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -49.76 100.79 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.87 0.843 . . . . 0.0 111.018 173.878 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 4' ' ' VAL . 1.4 p -101.72 35.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.717 0.77 . . . . 0.0 111.175 177.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -30.32 9.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.897 0.856 . . . . 0.0 111.005 173.713 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -134.37 41.47 2.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.844 . . . . 0.0 111.011 172.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -99.02 -18.86 17.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 112.331 174.33 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -69.76 -34.56 73.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.835 0.826 . . . . 0.0 110.949 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.4 -37.94 27.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.924 0.868 . . . . 0.0 110.921 174.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -55.9 -37.24 68.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.717 0.77 . . . . 0.0 111.036 -173.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 14' ' ' PHE . 46.7 mt -79.28 -78.19 0.16 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 110.653 173.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.91 -90.7 0.01 OUTLIER 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.6 0.76 . . . . 0.0 112.001 -172.245 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -37.97 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.357 -0.84 . . . . 0.0 113.089 172.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 11' ' ' LEU . 2.5 t80 -42.08 -25.24 0.06 Allowed 'General case' 0 C--O 1.258 1.511 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -173.653 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.25 -40.0 7.12 Favored Glycine 0 C--N 1.316 -0.541 0 CA-C-N 120.077 1.308 . . . . 0.0 110.443 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.87 -29.46 41.59 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 121.762 -0.846 . . . . 0.0 111.752 171.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 54.3 m -55.82 -27.97 53.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.505 0.669 . . . . 0.0 111.661 -174.637 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.56 -42.66 51.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.72 0.771 . . . . 0.0 111.301 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.42 31.35 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.577 0.703 . . . . 0.0 112.098 -178.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 5.0 t70 -138.47 -44.05 0.5 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.202 1.001 . . . . 0.0 110.657 172.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -73.03 -33.15 65.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.632 0.729 . . . . 0.0 111.439 176.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 26' ' ' ILE . . . -70.53 -28.58 65.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.153 0.978 . . . . 0.0 110.928 176.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 1.7 mmp_? -49.73 -62.54 1.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.904 0.859 . . . . 0.0 111.732 172.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -68.46 -42.99 77.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.721 0.772 . . . . 0.0 111.369 -172.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -25.08 62.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.229 0.538 . . . . 0.0 111.858 176.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.55 -31.49 32.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.662 0.744 . . . . 0.0 111.5 -177.115 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.784 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -69.29 -38.54 78.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.004 0.907 . . . . 0.0 110.921 174.303 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -64.54 -31.32 72.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.394 0.616 . . . . 0.0 111.742 172.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -32.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.789 0.804 . . . . 0.0 111.145 -172.347 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.784 ' HD3' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -58.84 -34.75 71.91 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.762 0.792 . . . . 0.0 111.143 177.299 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.591 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -93.77 43.66 1.11 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.36 0.6 . . . . 0.0 111.684 -173.262 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.07 49.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.718 0.77 . . . . 0.0 111.349 177.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 30.99 5.25 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 121.763 -0.586 . . . . 0.0 112.024 -173.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.059 HD12 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -83.02 -38.14 23.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.734 0.778 . . . . 0.0 111.154 173.039 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p 57.04 24.22 9.33 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.756 0.789 . . . . 0.0 110.768 -171.391 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.059 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -89.01 -71.06 0.62 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.855 0.836 . . . . 0.0 110.891 -172.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.65 34.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.824 0.821 . . . . 0.0 111.029 -178.465 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.443 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.124 0 CA-C-O 121.991 0.9 . . . . 0.0 110.685 -176.188 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 121.984 0.897 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -53.84 -164.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.569 1 C-N-CA 126.447 4.765 . . . . 0.0 114.776 175.697 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.03 94.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.876 0.846 . . . . 0.0 111.003 175.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 4' ' ' VAL . 0.9 OUTLIER -110.88 30.42 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.576 0.703 . . . . 0.0 111.276 -176.895 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -106.0 -51.01 3.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.802 0.811 . . . . 0.0 110.884 -179.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -106.65 33.27 3.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.567 0.698 . . . . 0.0 111.493 172.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.5 -25.09 7.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.241 172.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.01 -31.06 68.54 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.814 0.816 . . . . 0.0 110.991 172.603 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.46 -48.28 47.76 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.663 0.744 . . . . 0.0 111.297 176.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -54.51 -29.1 49.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.847 0.832 . . . . 0.0 111.072 -172.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -90.2 -87.45 0.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.758 0.79 . . . . 0.0 110.803 172.467 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.45 -86.98 0.02 OUTLIER 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 -173.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.73 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.627 -0.671 . . . . 0.0 112.192 172.017 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.438 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -42.47 -21.89 0.02 OUTLIER 'General case' 0 C--O 1.257 1.462 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -175.192 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.03 -46.84 6.45 Favored Glycine 0 C--N 1.317 -0.513 0 CA-C-N 120.22 1.373 . . . . 0.0 110.823 178.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -48.03 -43.56 30.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.915 0.864 . . . . 0.0 111.337 173.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -55.64 -40.2 71.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.712 . . . . 0.0 111.359 -172.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.5 pp -79.31 -19.96 49.09 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.22 0.533 . . . . 0.0 111.756 -172.829 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.79 20.76 4.51 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.547 -0.72 . . . . 0.0 112.513 172.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.73 -41.3 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.466 -0.771 . . . . 0.0 111.081 172.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -31.17 20.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.838 0.828 . . . . 0.0 111.14 -176.145 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -66.62 -10.48 46.27 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 174.333 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -36.05 62.35 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.379 -0.826 . . . . 0.0 111.443 -178.391 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -85.2 -40.58 16.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.998 0.904 . . . . 0.0 110.987 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -62.05 -24.34 67.03 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 172.877 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -63.43 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.633 0.73 . . . . 0.0 111.473 -179.817 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -32.76 74.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.086 0.946 . . . . 0.0 110.904 174.21 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -75.46 -23.94 56.93 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.431 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -33.28 11.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.341 -0.849 . . . . 0.0 111.268 -172.155 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.92 76.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.673 0.749 . . . . 0.0 111.198 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -93.24 32.99 1.24 Allowed 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.309 0.576 . . . . 0.0 112.203 -172.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.9 p -170.08 33.66 0.02 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.579 0.704 . . . . 0.0 111.788 172.523 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.85 26.21 3.97 Favored 'General case' 0 C--O 1.245 0.823 0 O-C-N 121.714 -0.616 . . . . 0.0 112.283 174.174 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -120.4 -26.86 5.31 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.559 -0.713 . . . . 0.0 112.561 179.72 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.07 27.2 2.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.765 1.269 . . . . 0.0 109.89 -171.127 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.799 ' HB3' HD12 ' A' ' 34' ' ' LEU . . . -88.73 -70.17 0.66 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.978 0.895 . . . . 0.0 111.019 -171.833 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -121.17 33.62 5.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.926 0.869 . . . . 0.0 110.854 -178.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.116 0 CA-C-O 122.022 0.915 . . . . 0.0 111.032 -178.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 1.042 HG21 HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 121.83 0.824 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -57.35 -145.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.728 1 C-N-CA 126.576 4.85 . . . . 0.0 114.195 174.496 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -88.46 48.52 1.65 Allowed 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.096 -1.002 . . . . 0.0 110.826 170.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.042 HG12 HG21 ' A' ' 1' ' ' THR . 0.4 OUTLIER -112.49 -17.84 8.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.764 0 O-C-N 121.703 -0.623 . . . . 0.0 111.884 -172.782 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -46.78 88.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.316 1.055 . . . . 0.0 110.295 171.392 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -99.47 41.57 1.15 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.379 1.085 . . . . 0.0 110.277 171.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . . . -74.06 137.69 43.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.483 1.135 . . . . 0.0 110.425 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 46.27 24.38 0.27 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.365 1.555 . . . . 0.0 113.553 -171.078 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.23 -46.33 8.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.145 0.974 . . . . 0.0 111.056 174.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -36.88 82.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.744 0.783 . . . . 0.0 110.938 172.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -99.74 41.32 1.16 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.808 1.289 . . . . 0.0 110.779 -177.658 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 56.16 3.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.969 0.89 . . . . 0.0 110.308 171.448 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.98 -84.84 0.0 OUTLIER 'General case' 0 C--O 1.244 0.805 0 O-C-N 121.801 -0.562 . . . . 0.0 110.317 -171.357 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -39.1 -23.13 0.01 OUTLIER 'General case' 0 C--O 1.257 1.499 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 168.656 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.32 -44.99 6.36 Favored Glycine 0 C--N 1.317 -0.513 0 CA-C-N 119.975 1.261 . . . . 0.0 111.156 178.229 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -47.96 -38.96 17.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.945 0.878 . . . . 0.0 111.328 175.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -70.16 -49.77 47.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.75 0.786 . . . . 0.0 110.878 -174.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -57.28 -36.68 71.33 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.575 0.702 . . . . 0.0 110.689 -175.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -73.0 -42.46 63.24 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.691 0.758 . . . . 0.0 111.325 -172.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.86 -49.37 65.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.793 0.806 . . . . 0.0 111.093 -172.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -17.55 49.59 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.231 0.538 . . . . 0.0 111.891 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 25' ' ' LEU . . . -85.22 -14.37 47.01 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.476 -0.765 . . . . 0.0 112.468 172.25 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -49.71 56.86 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.413 -0.805 . . . . 0.0 111.412 179.157 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -70.13 -40.59 74.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.983 0.897 . . . . 0.0 110.82 -177.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -62.47 -24.14 67.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.218 0.533 . . . . 0.0 111.812 172.71 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.8 mt -73.81 -34.51 40.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.57 0.7 . . . . 0.0 111.256 177.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.544 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 29.6 t -66.68 -26.81 67.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.778 0.799 . . . . 0.0 110.623 172.246 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -76.7 -29.02 56.09 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.439 0.637 . . . . 0.0 111.491 171.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.3 mt -70.53 -36.88 67.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.003 0.906 . . . . 0.0 110.724 -173.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -61.77 -39.2 90.82 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.824 0.821 . . . . 0.0 110.966 -178.175 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.599 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.4 tt0 -91.78 44.84 1.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.578 0.704 . . . . 0.0 111.603 179.145 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -173.02 54.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.927 0.87 . . . . 0.0 111.074 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -114.85 24.79 11.46 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.309 0.576 . . . . 0.0 111.846 -172.559 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.871 ' HB2' ' HB3' ' A' ' 38' ' ' MET . 0.5 OUTLIER -135.15 -59.42 0.78 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.797 1.284 . . . . 0.0 111.368 -176.169 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.592 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 58.0 m 36.0 39.25 0.07 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.279 1.032 . . . . 0.0 112.431 -169.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 35' ' ' SER . . . 92.22 -33.54 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.813 1.245 . . . . 0.0 110.729 172.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -13.82 14.92 Favored 'General case' 0 C--O 1.243 0.745 0 O-C-N 121.515 -0.741 . . . . 0.0 111.124 170.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.871 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.949 0.881 . . . . 0.0 110.648 171.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.954 HG21 HG11 ' A' ' 4' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.217 -0.617 0 CA-C-O 121.53 0.681 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 1' ' ' THR . 61.4 Cg_exo -57.31 -150.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.53 3.65 1 C-N-CA 126.183 4.589 . . . . 0.0 114.237 174.252 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.11 -14.71 0.16 Allowed 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.359 -0.838 . . . . 0.0 112.689 171.581 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 1' ' ' THR . 0.9 OUTLIER -29.59 104.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 122.602 1.191 . . . . 0.0 112.462 171.34 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER 157.47 -47.55 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.643 1.211 . . . . 0.0 109.842 -171.196 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -147.59 41.79 1.05 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.288 1.042 . . . . 0.0 110.481 172.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.1 -26.32 19.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.97 0.891 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.6 tt -68.06 -28.98 67.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.539 0.685 . . . . 0.0 111.109 171.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.71 -42.58 68.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.598 0.713 . . . . 0.0 111.272 -178.282 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.14 95.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.764 0.792 . . . . 0.0 110.867 178.097 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.5 22.93 15.02 Favored 'General case' 0 C--O 1.25 1.091 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -64.26 154.55 34.74 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 169.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 5.4 mt-10 75.58 -71.99 0.11 Allowed 'General case' 0 C--N 1.316 -0.862 0 O-C-N 120.662 -1.273 . . . . 0.0 110.247 -167.348 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -45.9 -15.26 0.03 OUTLIER 'General case' 0 C--O 1.259 1.601 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 173.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.21 -36.57 5.4 Favored Glycine 0 C--N 1.315 -0.604 0 CA-C-N 120.82 1.645 . . . . 0.0 110.743 176.414 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -35.33 38.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.941 0.877 . . . . 0.0 111.444 172.342 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.745 ' O ' ' HD3' ' A' ' 21' ' ' LYS . 59.9 m -63.36 -35.91 81.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.825 0.822 . . . . 0.0 111.314 -178.454 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.753 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.1 mt -81.74 -11.32 59.08 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 176.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.07 28.79 8.05 Favored 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.281 -0.887 . . . . 0.0 112.953 172.528 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.74 -49.97 0.35 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.538 0.685 . . . . 0.0 110.541 171.372 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.745 ' HD3' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -72.69 -24.19 60.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.013 0.911 . . . . 0.0 110.163 170.869 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . -92.19 29.17 1.7 Allowed 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.516 0.674 . . . . 0.0 111.067 170.455 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 -16.18 10.92 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 0.0 112.141 174.052 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -96.16 -33.88 11.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.939 0.876 . . . . 0.0 110.035 170.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.5 -32.32 73.9 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.379 1.561 . . . . 0.0 107.697 169.242 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 22' ' ' ALA . 2.0 mt -83.27 162.12 3.24 Favored 'Isoleucine or valine' 0 C--O 1.252 1.191 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 164.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.701 ' HB3' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 80.7 -45.36 0.25 Allowed 'General case' 0 C--N 1.314 -0.938 0 O-C-N 120.64 -1.288 . . . . 0.0 110.058 -165.63 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -32.35 35.47 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.266 -0.896 . . . . 0.0 111.093 170.677 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -43.09 77.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.761 0.791 . . . . 0.0 110.496 176.375 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -34.38 13.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.106 0.955 . . . . 0.0 111.131 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.3 45.11 1.19 Allowed 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.812 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.88 52.69 0.0 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.567 0.699 . . . . 0.0 111.751 176.547 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.78 23.74 5.38 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 121.521 -0.737 . . . . 0.0 112.482 -179.19 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.698 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -61.83 -40.26 94.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.761 1.267 . . . . 0.0 112.033 -172.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.442 ' N ' ' HG ' ' A' ' 34' ' ' LEU . 4.7 p -156.18 25.84 0.36 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 123.635 1.683 . . . . 0.0 108.943 172.076 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.4 -63.2 1.2 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.545 -167.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -99.85 -33.16 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.676 0.751 . . . . 0.0 111.077 172.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.015 0.912 . . . . 0.0 110.761 -172.621 . . . . . . . . 1 1 . 1 stop_ save_