data_1fp0_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 1fp0 _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ttm . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.187 0.518 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.584 ' NH1' ' CD2' ' A' ' 6' ' ' HIS . 9.5 mtp180 -117.43 -171.16 1.99 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.047 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.23 -55.88 0.02 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -163.05 30.42 0.09 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -1.158 . . . . 0.0 110.174 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.34 1.72 49.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.584 ' CD2' ' NH1' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -127.38 -21.64 3.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.286 -0.884 . . . . 0.0 110.695 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER 58.27 33.98 23.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.91 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 69.3 m80 55.89 175.68 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -0.846 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' HIS . 13.1 p-80 -146.37 -143.53 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 0.0 109.834 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' HIS . 18.3 m-70 -41.93 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.346 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.53 178.72 32.83 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 26.5 t -128.73 91.4 3.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.234 -1.156 . . . . 0.0 110.214 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.55 ' O ' ' CB ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER 178.08 -50.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 110.025 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.55 ' CB ' ' O ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER 80.02 -24.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.809 -0.557 . . . . 0.0 111.297 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 14' ' ' ILE . 30.2 mt 57.47 121.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.713 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -79.7 179.69 7.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 0.0 110.292 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.33 130.33 26.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.336 -0.853 . . . . 0.0 110.376 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -121.62 147.25 46.09 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.267 -0.896 . . . . 0.0 110.156 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.53 ' O ' ' CG2' ' A' ' 20' ' ' THR . . . 126.59 -53.58 0.79 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 19' ' ' GLY . 13.7 t 38.56 34.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.669 -0.9 . . . . 0.0 110.681 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -139.57 -71.38 0.39 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 30.4 m-20 -81.86 -150.67 0.09 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.14 -0.975 . . . . 0.0 110.536 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 24' ' ' SER . 2.5 m-20 55.51 19.81 3.4 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.392 -0.818 . . . . 0.0 110.133 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 53.7 p 178.03 178.38 0.36 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.605 -0.685 . . . . 0.0 110.124 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 24' ' ' SER . . . 70.64 -135.38 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.287 -0.883 . . . . 0.0 110.927 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 25' ' ' ALA . 75.7 p -39.89 170.3 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.126 0.965 . . . . 0.0 112.22 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -128.98 162.16 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.792 -0.567 . . . . 0.0 109.92 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' SG ' ' CG1' ' A' ' 30' ' ' VAL . 39.2 t -69.38 -40.27 77.53 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.747 -1.22 . . . . 0.0 111.059 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 3.4 tpp180 70.29 4.59 4.96 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.49 -0.756 . . . . 0.0 110.091 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.637 ' CG1' ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -128.39 -19.73 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.073 -1.017 . . . . 0.0 111.604 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 32' ' ' GLN . 1.7 p -160.21 -41.12 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.589 -1.32 . . . . 0.0 112.743 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.619 ' O ' ' HB3' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -149.27 162.08 40.76 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.661 -1.274 . . . . 0.0 110.242 -178.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.601 ' HB2' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -140.88 -66.55 0.02 OUTLIER Pre-proline 0 C--N 1.287 -2.129 0 O-C-N 120.662 -1.274 . . . . 0.0 111.616 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.601 ' CD ' ' HB2' ' A' ' 33' ' ' LYS . 52.1 Cg_endo -73.06 50.12 1.76 Allowed 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 122.841 0.916 . . . . 0.0 111.212 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 36' ' ' ASP . . . 160.19 130.19 1.11 Allowed Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.197 -1.478 . . . . 0.0 110.904 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 8.0 m-20 44.28 104.18 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.546 -0.973 . . . . 0.0 111.97 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -168.35 105.86 0.47 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.218 -0.927 . . . . 0.0 109.791 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.631 ' HB ' ' CA ' ' A' ' 63' ' ' GLU . 2.9 m -89.28 128.47 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.819 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 19.7 ttp -93.91 168.99 10.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.296 -0.877 . . . . 0.0 112.462 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.708 ' HB2' ' HA ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -94.2 104.78 16.78 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.228 1.014 . . . . 0.0 108.96 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -69.34 5.58 1.27 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.466 -1.396 . . . . 0.0 112.172 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.611 ' HB2' ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -103.67 -13.05 16.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.385 -1.447 . . . . 0.0 111.887 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.499 ' SG ' ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -153.92 -84.51 0.07 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.609 -1.307 . . . . 0.0 110.674 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 43' ' ' CYS . 2.1 pt-20 -175.95 33.37 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.678 -1.264 . . . . 0.0 110.494 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' O ' ' HG3' ' A' ' 39' ' ' MET . 0.3 OUTLIER -89.58 165.45 14.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 0.0 109.737 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 34.0 m -145.31 101.63 3.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.203 -0.936 . . . . 0.0 110.511 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.803 ' CZ ' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -139.06 -157.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.595 ' CE1' HD23 ' A' ' 37' ' ' LEU . 1.3 m80 -138.64 165.65 26.37 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' CD2' HG11 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -69.49 9.08 0.52 Allowed 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.678 -1.264 . . . . 0.0 110.093 178.216 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 48' ' ' HIS . 12.6 m-20 -133.83 1.79 3.35 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.563 -1.336 . . . . 0.0 111.437 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' SG ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -121.29 26.89 8.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.232 -1.542 . . . . 0.0 110.762 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.678 ' CE1' ' CD2' ' A' ' 53' ' ' LEU 0.252 16.1 t-80 -88.79 -87.31 0.16 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 177.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.678 ' CD2' ' CE1' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -151.58 175.21 3.01 Favored Pre-proline 0 C--N 1.297 -1.708 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 175.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.616 ' HD2' ' HB2' ' A' ' 53' ' ' LEU . 37.0 Cg_endo -63.22 63.9 0.17 Allowed 'Trans proline' 0 C--N 1.302 -1.885 0 O-C-N 122.919 0.957 . . . . 0.0 110.138 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 177.18 42.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -127.4 69.35 1.3 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.924 -1.11 . . . . 0.0 108.893 178.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' A' ' 55' ' ' ALA . 2.6 mp0 -118.09 11.61 13.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.583 -1.323 . . . . 0.0 111.346 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.566 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 26.9 p-10 -90.92 93.94 9.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 49' ' ' LEU . 34.5 m -92.36 101.93 5.72 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.36 -0.837 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 53.9 Cg_endo -76.39 -32.73 3.71 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.481 1.253 . . . . 0.0 109.95 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 62' ' ' GLU . . . 145.86 158.45 7.72 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 61' ' ' GLY . 1.6 mt-10 58.73 -108.9 0.43 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.235 -1.156 . . . . 0.0 110.18 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.631 ' CA ' ' HB ' ' A' ' 38' ' ' VAL . 13.3 pt-20 -99.66 -151.36 0.39 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.862 -1.149 . . . . 0.0 109.508 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.803 ' CE3' ' CZ ' ' A' ' 47' ' ' PHE . 1.8 t90 -74.91 -102.24 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.662 ' N ' ' CD1' ' A' ' 64' ' ' TRP . 4.1 t 172.62 37.42 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.708 ' HA ' ' HB2' ' A' ' 40' ' ' CYS . 4.7 t 57.5 163.62 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.479 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.538 ' N ' ' SG ' ' A' ' 66' ' ' CYS . 2.8 p -135.06 -141.7 0.18 Allowed 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.816 -0.552 . . . . 0.0 110.059 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.2 OUTLIER -94.39 62.99 2.96 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.126 -0.984 . . . . 0.0 110.265 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.2 m -65.72 -37.36 86.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.818 . . . . 0.0 110.323 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 53.98 69.56 0.7 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.301 -0.874 . . . . 0.0 110.282 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.433 ' O ' HG22 ' A' ' 71' ' ' VAL . 26.9 m -111.23 52.71 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 110.041 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 mt -55.01 110.97 2.51 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.346 -0.846 . . . . 0.0 110.582 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 45.3 Cg_endo -73.43 112.53 3.55 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.989 1.52 . . . . 0.0 110.357 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -8.8 17.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.473 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.39 18.42 7.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.113 -0.992 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -73.8 137.34 43.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 110.034 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -123.61 126.22 46.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.201 -0.937 . . . . 0.0 110.03 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -120.39 93.38 4.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.195 -0.941 . . . . 0.0 110.223 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 57.05 37.41 28.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.273 -0.892 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -79.72 58.46 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.253 -0.904 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -38.61 27.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.81 133.49 55.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.0 110.227 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.76 79.15 7.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.211 -0.931 . . . . 0.0 109.901 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 85' ' ' CYS . . . -65.91 -66.43 0.55 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.235 -0.916 . . . . 0.0 110.368 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 84' ' ' ALA . 59.1 m -59.14 -144.7 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.433 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 63.36 1.23 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 110.2 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 87' ' ' LEU . 1.6 tm? -138.46 89.0 2.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.3 -0.875 . . . . 0.0 110.17 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' LEU . 11.1 p30 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.217 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ttm . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.187 0.518 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -117.43 -171.16 1.99 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.047 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.23 -55.88 0.02 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -163.05 30.42 0.09 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -1.158 . . . . 0.0 110.174 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.34 1.72 49.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.38 -21.64 3.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.286 -0.884 . . . . 0.0 110.695 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER 58.27 33.98 23.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.91 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 69.3 m80 55.89 175.68 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -0.846 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' HIS . 26.2 p80 -146.37 -143.53 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 0.0 109.834 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' HIS . 18.3 m-70 -41.93 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.346 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.53 178.72 32.83 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 t -128.73 91.4 3.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.234 -1.156 . . . . 0.0 110.214 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.691 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.8 OUTLIER 178.08 -50.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 110.025 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER 80.02 -24.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.809 -0.557 . . . . 0.0 111.297 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 14' ' ' ILE . 30.2 mt 57.47 121.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.713 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -79.7 179.69 7.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 0.0 110.292 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.33 130.33 26.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.336 -0.853 . . . . 0.0 110.376 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -121.62 147.25 46.09 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.267 -0.896 . . . . 0.0 110.156 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.684 ' O ' HG22 ' A' ' 20' ' ' THR . . . 126.59 -53.58 0.79 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 19' ' ' GLY . 13.7 t 38.56 34.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.669 -0.9 . . . . 0.0 110.681 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -139.57 -71.38 0.39 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 30.4 m-20 -81.86 -150.67 0.09 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.14 -0.975 . . . . 0.0 110.536 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 24' ' ' SER . 2.5 m-20 55.51 19.81 3.4 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.392 -0.818 . . . . 0.0 110.133 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.729 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 53.7 p 178.03 178.38 0.36 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.605 -0.685 . . . . 0.0 110.124 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 24' ' ' SER . . . 70.64 -135.38 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.287 -0.883 . . . . 0.0 110.927 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 25' ' ' ALA . 75.7 p -39.89 170.3 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.126 0.965 . . . . 0.0 112.22 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.77 ' N ' HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.98 162.16 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.792 -0.567 . . . . 0.0 109.92 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.071 ' SG ' HG12 ' A' ' 30' ' ' VAL . 39.2 t -69.38 -40.27 77.53 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.747 -1.22 . . . . 0.0 111.059 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 3.4 tpp180 70.29 4.59 4.96 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.49 -0.756 . . . . 0.0 110.091 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.071 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -128.39 -19.73 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.073 -1.017 . . . . 0.0 111.604 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 32' ' ' GLN . 1.7 p -160.21 -41.12 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.589 -1.32 . . . . 0.0 112.743 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.659 ' O ' ' HB3' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -149.27 162.08 40.76 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.661 -1.274 . . . . 0.0 110.242 -178.385 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.652 ' HB2' ' HD3' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -140.88 -66.55 0.02 OUTLIER Pre-proline 0 C--N 1.287 -2.129 0 O-C-N 120.662 -1.274 . . . . 0.0 111.616 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 33' ' ' LYS . 52.1 Cg_endo -73.06 50.12 1.76 Allowed 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 122.841 0.916 . . . . 0.0 111.212 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 36' ' ' ASP . . . 160.19 130.19 1.11 Allowed Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.197 -1.478 . . . . 0.0 110.904 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.699 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 8.0 m-20 44.28 104.18 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.546 -0.973 . . . . 0.0 111.97 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -168.35 105.86 0.47 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.218 -0.927 . . . . 0.0 109.791 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.984 HG22 ' HA ' ' A' ' 48' ' ' HIS . 2.9 m -89.28 128.47 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.819 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 19.7 ttp -93.91 168.99 10.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.296 -0.877 . . . . 0.0 112.462 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.744 ' HB2' ' HA ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -94.2 104.78 16.78 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.228 1.014 . . . . 0.0 108.96 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.433 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -69.34 5.58 1.27 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.466 -1.396 . . . . 0.0 112.172 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.639 ' HB2' ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -103.67 -13.05 16.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.385 -1.447 . . . . 0.0 111.887 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.642 ' HB3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -153.92 -84.51 0.07 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.609 -1.307 . . . . 0.0 110.674 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 43' ' ' CYS . 2.1 pt-20 -175.95 33.37 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.678 -1.264 . . . . 0.0 110.494 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.499 ' O ' ' HG3' ' A' ' 39' ' ' MET . 0.3 OUTLIER -89.58 165.45 14.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 0.0 109.737 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 34.0 m -145.31 101.63 3.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.203 -0.936 . . . . 0.0 110.511 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.803 ' CZ ' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -139.06 -157.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.984 ' HA ' HG22 ' A' ' 38' ' ' VAL . 3.4 m170 -138.64 165.65 26.37 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.948 ' HA ' HD13 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -69.49 9.08 0.52 Allowed 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.678 -1.264 . . . . 0.0 110.093 178.216 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 48' ' ' HIS . 12.6 m-20 -133.83 1.79 3.35 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.563 -1.336 . . . . 0.0 111.437 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' SG ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -121.29 26.89 8.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.232 -1.542 . . . . 0.0 110.762 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.928 ' CE1' HD21 ' A' ' 53' ' ' LEU 0.252 16.1 t-80 -88.79 -87.31 0.16 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 177.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.928 HD21 ' CE1' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -151.58 175.21 3.01 Favored Pre-proline 0 C--N 1.297 -1.708 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 175.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.644 ' HD2' ' HB2' ' A' ' 53' ' ' LEU . 37.0 Cg_endo -63.22 63.9 0.17 Allowed 'Trans proline' 0 C--N 1.302 -1.885 0 O-C-N 122.919 0.957 . . . . 0.0 110.138 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.75 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . 177.18 42.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.137 HD11 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -127.4 69.35 1.3 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.924 -1.11 . . . . 0.0 108.893 178.407 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' A' ' 55' ' ' ALA . 2.6 mp0 -118.09 11.61 13.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.583 -1.323 . . . . 0.0 111.346 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 26.9 p-10 -90.92 93.94 9.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.906 HG12 HD13 ' A' ' 49' ' ' LEU . 34.5 m -92.36 101.93 5.72 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.36 -0.837 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 53.9 Cg_endo -76.39 -32.73 3.71 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.481 1.253 . . . . 0.0 109.95 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 62' ' ' GLU . . . 145.86 158.45 7.72 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 61' ' ' GLY . 1.6 mt-10 58.73 -108.9 0.43 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.235 -1.156 . . . . 0.0 110.18 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.64 ' CA ' ' HB ' ' A' ' 38' ' ' VAL . 13.3 pt-20 -99.66 -151.36 0.39 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.862 -1.149 . . . . 0.0 109.508 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 1.137 ' CE3' HD11 ' A' ' 56' ' ' LEU . 1.8 t90 -74.91 -102.24 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.662 ' N ' ' CD1' ' A' ' 64' ' ' TRP . 4.1 t 172.62 37.42 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.744 ' HA ' ' HB2' ' A' ' 40' ' ' CYS . 4.7 t 57.5 163.62 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.479 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.538 ' N ' ' SG ' ' A' ' 66' ' ' CYS . 2.8 p -135.06 -141.7 0.18 Allowed 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.816 -0.552 . . . . 0.0 110.059 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.39 62.99 2.96 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.126 -0.984 . . . . 0.0 110.265 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.2 m -65.72 -37.36 86.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.818 . . . . 0.0 110.323 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 53.98 69.56 0.7 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.301 -0.874 . . . . 0.0 110.282 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.642 HG21 ' HB3' ' A' ' 43' ' ' CYS . 26.9 m -111.23 52.71 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 110.041 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 mt -55.01 110.97 2.51 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.346 -0.846 . . . . 0.0 110.582 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 45.3 Cg_endo -73.43 112.53 3.55 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.989 1.52 . . . . 0.0 110.357 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -8.8 17.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.473 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.39 18.42 7.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.113 -0.992 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -73.8 137.34 43.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 110.034 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -123.61 126.22 46.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.201 -0.937 . . . . 0.0 110.03 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -120.39 93.38 4.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.195 -0.941 . . . . 0.0 110.223 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 57.05 37.41 28.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.273 -0.892 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -79.72 58.46 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.253 -0.904 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -38.61 27.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.81 133.49 55.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.0 110.227 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.76 79.15 7.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.211 -0.931 . . . . 0.0 109.901 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 85' ' ' CYS . . . -65.91 -66.43 0.55 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.235 -0.916 . . . . 0.0 110.368 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 84' ' ' ALA . 59.1 m -59.14 -144.7 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.433 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 63.36 1.23 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 110.2 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.581 HD13 ' C ' ' A' ' 87' ' ' LEU . 1.6 tm? -138.46 89.0 2.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.3 -0.875 . . . . 0.0 110.17 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.43 ' OXT' HD13 ' A' ' 87' ' ' LEU . 11.1 p30 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.217 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 ttm . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.187 0.518 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.584 ' NH1' ' CD2' ' A' ' 6' ' ' HIS . 9.5 mtp180 -117.43 -171.16 1.99 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.047 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.23 -55.88 0.02 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -163.05 30.42 0.09 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -1.158 . . . . 0.0 110.174 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.34 1.72 49.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.584 ' CD2' ' NH1' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -127.38 -21.64 3.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.286 -0.884 . . . . 0.0 110.695 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER 58.27 33.98 23.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.91 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 69.3 m80 55.89 175.68 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -0.846 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' HIS . 13.1 p-80 -146.37 -143.53 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 0.0 109.834 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' HIS . 18.3 m-70 -41.93 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.346 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.53 178.72 32.83 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 t -128.73 91.4 3.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.234 -1.156 . . . . 0.0 110.214 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.691 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.8 OUTLIER 178.08 -50.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 110.025 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER 80.02 -24.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.809 -0.557 . . . . 0.0 111.297 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 14' ' ' ILE . 30.2 mt 57.47 121.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.713 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -79.7 179.69 7.38 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 0.0 110.292 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.33 130.33 26.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.336 -0.853 . . . . 0.0 110.376 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -121.62 147.25 46.09 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.267 -0.896 . . . . 0.0 110.156 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.684 ' O ' HG22 ' A' ' 20' ' ' THR . . . 126.59 -53.58 0.79 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 19' ' ' GLY . 13.7 t 38.56 34.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.669 -0.9 . . . . 0.0 110.681 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -139.57 -71.38 0.39 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.163 -0.961 . . . . 0.0 110.621 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 30.4 m-20 -81.86 -150.67 0.09 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.14 -0.975 . . . . 0.0 110.536 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 24' ' ' SER . 2.5 m-20 55.51 19.81 3.4 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.392 -0.818 . . . . 0.0 110.133 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.729 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 53.7 p 178.03 178.38 0.36 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.605 -0.685 . . . . 0.0 110.124 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 24' ' ' SER . . . 70.64 -135.38 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.287 -0.883 . . . . 0.0 110.927 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 25' ' ' ALA . 75.7 p -39.89 170.3 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 122.126 0.965 . . . . 0.0 112.22 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.77 ' N ' HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.98 162.16 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.792 -0.567 . . . . 0.0 109.92 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.071 ' SG ' HG12 ' A' ' 30' ' ' VAL . 39.2 t -69.38 -40.27 77.53 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.747 -1.22 . . . . 0.0 111.059 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 3.4 tpp180 70.29 4.59 4.96 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.49 -0.756 . . . . 0.0 110.091 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.071 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -128.39 -19.73 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.073 -1.017 . . . . 0.0 111.604 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.562 ' SG ' ' N ' ' A' ' 32' ' ' GLN . 1.7 p -160.21 -41.12 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.589 -1.32 . . . . 0.0 112.743 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.659 ' O ' ' HB3' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -149.27 162.08 40.76 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.661 -1.274 . . . . 0.0 110.242 -178.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.652 ' HB2' ' HD3' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -140.88 -66.55 0.02 OUTLIER Pre-proline 0 C--N 1.287 -2.129 0 O-C-N 120.662 -1.274 . . . . 0.0 111.616 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 33' ' ' LYS . 52.1 Cg_endo -73.06 50.12 1.76 Allowed 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 122.841 0.916 . . . . 0.0 111.212 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 36' ' ' ASP . . . 160.19 130.19 1.11 Allowed Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.197 -1.478 . . . . 0.0 110.904 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 8.0 m-20 44.28 104.18 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.546 -0.973 . . . . 0.0 111.97 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.827 HD23 ' CE1' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -168.35 105.86 0.47 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.218 -0.927 . . . . 0.0 109.791 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.984 HG22 ' HA ' ' A' ' 48' ' ' HIS . 2.9 m -89.28 128.47 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.242 -0.911 . . . . 0.0 109.819 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 19.7 ttp -93.91 168.99 10.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.296 -0.877 . . . . 0.0 112.462 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.744 ' HB2' ' HA ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -94.2 104.78 16.78 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.228 1.014 . . . . 0.0 108.96 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.433 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -69.34 5.58 1.27 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.466 -1.396 . . . . 0.0 112.172 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.639 ' HB2' ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -103.67 -13.05 16.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.385 -1.447 . . . . 0.0 111.887 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.642 ' HB3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -153.92 -84.51 0.07 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.609 -1.307 . . . . 0.0 110.674 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 43' ' ' CYS . 2.1 pt-20 -175.95 33.37 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.678 -1.264 . . . . 0.0 110.494 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.499 ' O ' ' HG3' ' A' ' 39' ' ' MET . 0.3 OUTLIER -89.58 165.45 14.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -0.952 . . . . 0.0 109.737 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 34.0 m -145.31 101.63 3.62 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.203 -0.936 . . . . 0.0 110.511 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.803 ' CZ ' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -139.06 -157.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.984 ' HA ' HG22 ' A' ' 38' ' ' VAL . 1.3 m80 -138.64 165.65 26.37 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.948 ' HA ' HD13 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -69.49 9.08 0.52 Allowed 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.678 -1.264 . . . . 0.0 110.093 178.216 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 48' ' ' HIS . 12.6 m-20 -133.83 1.79 3.35 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.563 -1.336 . . . . 0.0 111.437 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' SG ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -121.29 26.89 8.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.232 -1.542 . . . . 0.0 110.762 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.928 ' CE1' HD21 ' A' ' 53' ' ' LEU 0.252 16.1 t-80 -88.79 -87.31 0.16 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 177.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.928 HD21 ' CE1' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -151.58 175.21 3.01 Favored Pre-proline 0 C--N 1.297 -1.708 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 175.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.644 ' HD2' ' HB2' ' A' ' 53' ' ' LEU . 37.0 Cg_endo -63.22 63.9 0.17 Allowed 'Trans proline' 0 C--N 1.302 -1.885 0 O-C-N 122.919 0.957 . . . . 0.0 110.138 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.75 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . 177.18 42.52 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.418 -0.801 . . . . 0.0 111.537 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.137 HD11 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -127.4 69.35 1.3 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.924 -1.11 . . . . 0.0 108.893 178.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' A' ' 55' ' ' ALA . 2.6 mp0 -118.09 11.61 13.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.583 -1.323 . . . . 0.0 111.346 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 26.9 p-10 -90.92 93.94 9.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.906 HG12 HD13 ' A' ' 49' ' ' LEU . 34.5 m -92.36 101.93 5.72 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.36 -0.837 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HD3' ' O ' ' A' ' 58' ' ' ASP . 53.9 Cg_endo -76.39 -32.73 3.71 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.481 1.253 . . . . 0.0 109.95 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 62' ' ' GLU . . . 145.86 158.45 7.72 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 61' ' ' GLY . 1.6 mt-10 58.73 -108.9 0.43 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.235 -1.156 . . . . 0.0 110.18 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.64 ' CA ' ' HB ' ' A' ' 38' ' ' VAL . 13.3 pt-20 -99.66 -151.36 0.39 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.862 -1.149 . . . . 0.0 109.508 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 1.137 ' CE3' HD11 ' A' ' 56' ' ' LEU . 1.8 t90 -74.91 -102.24 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.662 ' N ' ' CD1' ' A' ' 64' ' ' TRP . 4.1 t 172.62 37.42 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.744 ' HA ' ' HB2' ' A' ' 40' ' ' CYS . 4.7 t 57.5 163.62 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.479 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.538 ' N ' ' SG ' ' A' ' 66' ' ' CYS . 2.8 p -135.06 -141.7 0.18 Allowed 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.816 -0.552 . . . . 0.0 110.059 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.39 62.99 2.96 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.126 -0.984 . . . . 0.0 110.265 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.2 m -65.72 -37.36 86.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.818 . . . . 0.0 110.323 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 53.98 69.56 0.7 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.301 -0.874 . . . . 0.0 110.282 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.642 HG21 ' HB3' ' A' ' 43' ' ' CYS . 26.9 m -111.23 52.71 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 110.041 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 mt -55.01 110.97 2.51 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.346 -0.846 . . . . 0.0 110.582 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 45.3 Cg_endo -73.43 112.53 3.55 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.989 1.52 . . . . 0.0 110.357 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -8.8 17.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.273 -0.892 . . . . 0.0 110.473 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.39 18.42 7.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.113 -0.992 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -73.8 137.34 43.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.322 -0.861 . . . . 0.0 110.034 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -123.61 126.22 46.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.201 -0.937 . . . . 0.0 110.03 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -120.39 93.38 4.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.195 -0.941 . . . . 0.0 110.223 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t0 57.05 37.41 28.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.273 -0.892 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -79.72 58.46 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.253 -0.904 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 -38.61 27.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 0.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.81 133.49 55.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.0 110.227 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.76 79.15 7.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.211 -0.931 . . . . 0.0 109.901 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 85' ' ' CYS . . . -65.91 -66.43 0.55 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.235 -0.916 . . . . 0.0 110.368 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 84' ' ' ALA . 59.1 m -59.14 -144.7 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.831 . . . . 0.0 110.433 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 63.36 1.23 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 110.2 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.581 HD13 ' C ' ' A' ' 87' ' ' LEU . 1.6 tm? -138.46 89.0 2.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.3 -0.875 . . . . 0.0 110.17 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.43 ' OXT' HD13 ' A' ' 87' ' ' LEU . 11.1 p30 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.217 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_