data_1bbn_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 1bbn _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' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.717 0.77 . . . . 9.2599999999999998 109.833 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.99 -42.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.934 -1.136 . . . . 7.6200000000000001 107.934 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.87 112.66 22.74 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.602 -0.888 . . . . 7.8200000000000003 108.602 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.83 -168.16 0.17 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.286 -0.884 . . . . 5.46 108.736 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' CYS . 64.0 m-70 -110.82 102.59 11.1 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.097 -1.075 . . . . 5.1500000000000004 108.097 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.3 95.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.278 -1.378 . . . . 7.0499999999999998 107.278 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 20.7 t -179.28 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.886 0.851 . . . . 2.1299999999999999 109.121 -177.338 171.53 -120.345 -176.827 104.746 2.017 103.912 137.56 161.916 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.07 -45.98 31.4 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.81 -1.181 . . . . 3.3900000000000001 110.359 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.7 mt -90.97 -64.84 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.14 . . . . 2.5899999999999999 111.544 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -57.26 -35.81 70.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.159 -0.963 . . . . 1.3400000000000001 111.582 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.507 ' CD2' ' CE1' ' A' ' 128' ' ' TYR . 0.9 OUTLIER -83.12 -45.3 14.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.919 -1.113 . . . . 1.8 111.804 -177.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -58.62 -33.9 70.55 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.368 . . . . 2.6099999999999999 108.324 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.07 -37.18 69.67 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.527 -1.286 . . . . 2.2799999999999998 107.527 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -18.34 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 109.132 -0.692 . . . . 1.3500000000000001 109.132 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.47 -49.54 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.051 -1.031 . . . . 1.5900000000000001 108.717 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -59.64 -33.06 71.04 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.736 -0.839 . . . . 2.4300000000000002 108.736 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.2 m -70.31 -37.8 74.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.589 -0.893 . . . . 1.25 108.589 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.08 -30.24 71.32 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.829 -0.804 . . . . 2.02 108.829 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.93 -26.12 36.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 2.02 109.021 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.43 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -64.57 -41.36 96.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.195 -0.941 . . . . 1.6200000000000001 109.195 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.5 -15.87 63.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.196 -0.94 . . . . 1.8100000000000001 109.798 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -2.99 37.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.012 . . . . 2.1899999999999999 110.513 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.25 -56.72 5.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.724 -1.235 . . . . 2.5899999999999999 110.194 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -103.46 70.3 1.03 Allowed 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 121.96 0.886 . . . . 3.0600000000000001 108.819 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.68 53.26 0.9 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.541 -0.725 . . . . 5.1100000000000003 109.992 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.68 -46.38 0.6 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.99 . . . . 2.5699999999999998 109.133 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -30.07 17.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.503 -0.748 . . . . 2.3199999999999998 109.538 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -17.31 26.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.101 -0.999 . . . . 0.97999999999999998 109.422 179.332 -131.954 82.834 -137.375 104.331 2.021 104.495 135.486 -158.235 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.6 p -89.36 10.58 21.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.938 -1.101 . . . . 1.1699999999999999 110.729 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -95.61 45.31 1.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.797 -1.19 . . . . 2.7999999999999998 108.122 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' A' ' 63' ' ' HIS . 3.0 mt -135.9 94.37 3.05 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.871 -1.529 . . . . 2.29 106.871 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.3 p -43.37 132.91 4.39 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.684 0.754 . . . . 1.26 112.208 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.85 -145.05 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 107.617 -1.253 . . . . 1.3899999999999999 107.617 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.63 139.46 47.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.326 -1.484 . . . . 1.3 109.686 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -89.06 108.75 19.76 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.198 -0.939 . . . . 1.72 109.563 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 pt -97.92 17.37 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.976 -1.078 . . . . 1.3600000000000001 110.232 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.15 28.18 8.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.892 -1.13 . . . . 0.89000000000000001 109.403 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.22 -29.64 13.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 1.76 109.807 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -138.16 83.27 1.96 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 2.3599999999999999 109.801 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 112.13 24.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 2.6800000000000002 109.106 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -124.34 -70.79 0.74 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.231 -0.918 . . . . 4.6900000000000004 109.869 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.31 22.41 14.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -0.955 . . . . 3.4500000000000002 110.187 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -90.46 131.29 36.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 2.1000000000000001 109.323 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -165.66 1.26 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 2.6000000000000001 109.501 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 18.5 pt-20 -71.45 -44.71 64.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.348 -0.845 . . . . 1.6200000000000001 109.844 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -59.79 -43.3 94.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 2.8500000000000001 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.61 -37.93 88.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.047 -1.033 . . . . 2.2000000000000002 109.499 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.1 m -71.52 -18.22 62.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 1.48 110.699 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.454 ' CE2' ' OH ' ' A' ' 128' ' ' TYR . 23.2 m-85 -87.39 -34.98 18.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.663 -1.273 . . . . 1.9399999999999999 110.235 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.1 -37.54 72.39 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.247 -1.02 . . . . 1.1200000000000001 108.247 179.908 178.455 -123.527 121.95 103.809 2.013 103.39 150.465 -85.49 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -68.49 -53.93 20.16 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.286 -1.005 . . . . 2.8300000000000001 108.286 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.9 -15.17 61.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.579 -0.7 . . . . 1.1000000000000001 109.708 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.95 -33.09 39.91 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.01 -1.056 . . . . 1.1799999999999999 108.372 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -69.5 -44.58 70.8 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.063 -1.088 . . . . 1.22 108.063 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.37 -34.53 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.383 -0.969 . . . . 1.23 108.383 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -27.06 65.4 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.831 -0.803 . . . . 1.52 108.831 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -68.27 -46.41 70.46 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.338 -0.851 . . . . 3.2999999999999998 108.749 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.66 -26.7 67.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.518 -0.739 . . . . 2.2200000000000002 109.603 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -71.9 -41.41 67.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.121 -0.987 . . . . 1.8300000000000001 110.012 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.37 -9.54 52.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.861 -1.149 . . . . 1.6699999999999999 111.067 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -48.03 6.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.649 -1.282 . . . . 1.5800000000000001 110.368 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -90.5 -59.03 2.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.208 -0.933 . . . . 3.2599999999999998 111.274 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' CE1' HD12 ' A' ' 31' ' ' LEU . 81.1 m-70 -62.04 -19.9 63.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.964 -1.085 . . . . 2.98 110.875 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.79 -31.1 62.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.836 -1.165 . . . . 1.8500000000000001 109.955 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -128.17 52.48 1.88 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.106 -0.996 . . . . 3.8599999999999999 109.832 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.15 132.6 56.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.081 -1.012 . . . . 2.1699999999999999 109.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -26.07 60.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.327 -0.858 . . . . 2.5699999999999998 109.237 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -52.43 -63.69 1.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.88 . . . . 3.9100000000000001 110.384 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.18 -27.06 64.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.222 -0.924 . . . . 1.03 110.556 -178.921 -158.235 135.486 -137.375 104.495 2.021 104.331 82.834 -131.954 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.4 HD23 ' CE2' ' A' ' 77' ' ' PHE . 14.1 mt -55.79 -70.92 0.1 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.948 -1.095 . . . . 1.97 109.39 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.98 -127.33 7.75 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.538 -1.425 . . . . 1.45 109.538 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.67 34.21 0.22 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.287 -1.125 . . . . 2.2200000000000002 109.369 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -140.04 159.7 41.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.888 . . . . 2.5499999999999998 109.657 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -29.72 43.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.198 -0.939 . . . . 1.8899999999999999 108.995 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.4 -49.52 71.24 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 2.6499999999999999 109.498 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -62.94 -16.06 57.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 2.3500000000000001 110.274 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CE2' HD23 ' A' ' 70' ' ' LEU . 1.8 t80 -75.68 -43.66 46.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.848 -1.158 . . . . 2.52 109.053 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -69.75 -37.36 76.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.41 -0.806 . . . . 2.1400000000000001 109.756 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -39.68 85.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.32 -0.862 . . . . 3.9700000000000002 109.371 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.424 ' CE1' HD13 ' A' ' 84' ' ' ILE . 7.0 t60 -62.58 -39.47 93.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.513 -0.742 . . . . 1.8 109.779 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -60.02 -35.3 74.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 3.0099999999999998 109.675 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -69.65 -30.6 68.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.93 . . . . 2.21 109.776 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -42.54 72.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 1.6499999999999999 109.8 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.424 HD13 ' CE1' ' A' ' 80' ' ' HIS . 8.9 mm -63.57 -34.94 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.283 -0.885 . . . . 1.3200000000000001 110.138 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.42 -54.73 15.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 3.5699999999999998 109.674 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CE1' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -51.4 -30.57 19.54 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.6 0.714 . . . . 1.6699999999999999 109.19 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.58 -52.44 26.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.506 -0.746 . . . . 2.3399999999999999 110.397 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -50.98 -40.46 57.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.544 -0.722 . . . . 2.25 109.907 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.76 -41.81 95.61 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.406 -0.809 . . . . 2.6400000000000001 109.995 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 tp -78.34 -11.16 59.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.969 . . . . 1.8 111.083 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.67 -30.88 28.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.442 -1.411 . . . . 1.6799999999999999 109.258 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -91.39 -32.23 15.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.595 -0.69 . . . . 3.9900000000000002 110.053 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.1 -45.89 11.65 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.112 -0.992 . . . . 1.97 111.53 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 tp -51.22 -57.57 8.44 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.112 -0.993 . . . . 1.79 110.904 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -88.91 -21.98 23.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.811 -1.18 . . . . 3.1600000000000001 110.45 -179.551 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.441 ' N ' ' CD1' ' A' ' 95' ' ' TRP . . . -52.87 -32.28 40.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.846 -1.701 . . . . 0.76000000000000001 108.846 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.79 -37.44 55.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.385 -1.068 . . . . 2.1400000000000001 108.637 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.89 -42.9 65.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.508 -0.745 . . . . 1.3999999999999999 109.629 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.88 49.74 33.59 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.348 -1.501 . . . . 1.9399999999999999 109.348 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' O ' ' CZ3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -119.43 -179.31 3.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.388 -1.066 . . . . 3.7599999999999998 109.572 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.83 -78.71 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 3.8300000000000001 108.952 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.32 143.95 26.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.337 -0.852 . . . . 2.77 109.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.1 m -144.74 75.92 14.3 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.439 -0.949 . . . . 1.6000000000000001 108.439 179.346 -85.49 150.465 121.95 103.39 2.013 103.809 -123.527 178.455 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -57.55 86.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 122.589 2.193 . . . . 2.1200000000000001 111.748 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -74.45 125.29 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.224 -1.769 . . . . 2.52 106.224 177.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -158.88 -36.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.132 -1.605 . . . . 5.0300000000000002 112.298 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.8 pt-20 -75.38 85.98 2.53 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.634 -1.291 . . . . 3.5499999999999998 109.813 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -176.6 140.15 0.34 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.764 -1.21 . . . . 1.8100000000000001 109.645 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.12 -172.05 3.18 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.161 -1.051 . . . . 2.1800000000000002 108.161 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.37 95.74 7.12 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.031 -1.043 . . . . 2.2400000000000002 109.516 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.62 178.79 5.69 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.736 -1.209 . . . . 1.77 107.736 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.3 p -100.73 139.54 36.27 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.784 -1.198 . . . . 1.24 108.381 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.62 -14.85 34.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.834 -1.166 . . . . 1.77 110.299 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.43 -51.57 62.47 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.491 -1.381 . . . . 1.78 108.833 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.16 -20.54 59.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.461 -0.774 . . . . 2.5 110.269 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -70.15 -57.04 5.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.953 -1.092 . . . . 0.85999999999999999 109.104 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.89 -33.75 72.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.367 -0.833 . . . . 2.3599999999999999 108.874 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.42 -50.23 74.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.248 -0.908 . . . . 2.0499999999999998 108.845 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -68.65 -18.03 64.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.581 -0.699 . . . . 3.1400000000000001 110.162 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -39.37 61.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.845 -1.159 . . . . 1.5700000000000001 109.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -73.98 -39.02 63.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 2.3700000000000001 109.498 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -45.38 87.12 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.463 0.649 . . . . 1.3999999999999999 110.036 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.0 mm -67.27 -42.39 87.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.436 -0.79 . . . . 1.6699999999999999 111.029 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.433 ' O ' ' CD2' ' A' ' 128' ' ' TYR . 22.2 mmm -61.97 -51.8 66.58 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.068 -1.02 . . . . 1.48 110.817 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -65.75 -61.8 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 4.2800000000000002 111.247 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -48.84 -44.86 39.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 2.3199999999999998 112.285 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -22.87 34.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.691 -1.255 . . . . 3.04 111.781 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 11' ' ' LEU . 17.4 m-85 -90.56 -7.08 53.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.386 -1.446 . . . . 4.8300000000000001 111.064 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -14.81 63.25 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.515 -1.366 . . . . 2.79 108.141 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -120.26 7.84 10.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.194 -0.941 . . . . 5.2800000000000002 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 2.4 t -54.38 -58.11 8.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 3.3300000000000001 108.271 179.455 161.916 137.56 -176.827 103.912 2.017 104.746 -120.345 171.53 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 156.66 16.59 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.401 -1.333 . . . . 4.8200000000000003 107.401 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.49 1.568 0 O-C-N 120.966 -1.084 . . . . 6.6500000000000004 109.827 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.717 0.77 . . . . 9.2599999999999998 109.833 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.99 -42.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.934 -1.136 . . . . 7.2599999999999998 107.934 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.87 112.66 22.74 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.602 -0.888 . . . . 7.8200000000000003 108.602 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.83 -168.16 0.17 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.286 -0.884 . . . . 4.96 108.736 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' CYS . 64.0 m-70 -110.82 102.59 11.1 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.097 -1.075 . . . . 4.6900000000000004 108.097 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.3 95.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.278 -1.378 . . . . 6.54 107.278 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 20.7 t -179.28 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.886 0.851 . . . . 1.9199999999999999 109.121 -177.338 171.53 -120.345 -176.827 104.746 2.017 103.912 137.56 161.916 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.07 -45.98 31.4 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.81 -1.181 . . . . 3.3900000000000001 110.359 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.7 mt -90.97 -64.84 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.14 . . . . 2.1600000000000001 111.544 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -57.26 -35.81 70.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.159 -0.963 . . . . 0.97999999999999998 111.582 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' CE1' ' A' ' 128' ' ' TYR . 0.9 OUTLIER -83.12 -45.3 14.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.919 -1.113 . . . . 1.27 111.804 -177.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.794 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.8 pt20 -58.62 -33.9 70.55 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.368 . . . . 2.1400000000000001 108.324 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.07 -37.18 69.67 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.527 -1.286 . . . . 2.2799999999999998 107.527 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -66.41 -18.34 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 109.132 -0.692 . . . . 0.80000000000000004 109.132 178.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 12' ' ' GLN . 3.3 mt -79.47 -49.54 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.051 -1.031 . . . . 1.01 108.717 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -59.64 -33.06 71.04 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.736 -0.839 . . . . 2.0299999999999998 108.736 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 ' CD1' ' A' ' 86' ' ' PHE . 27.2 m -70.31 -37.8 74.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.589 -0.893 . . . . 0.65000000000000002 108.589 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 18' ' ' LEU . 2.3 tm? -64.08 -30.24 71.32 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.829 -0.804 . . . . 1.3 108.829 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.93 -26.12 36.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 1.6499999999999999 109.021 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -64.57 -41.36 96.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.195 -0.941 . . . . 1.27 109.195 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.5 -15.87 63.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.196 -0.94 . . . . 1.0800000000000001 109.798 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -77.18 -2.99 37.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.012 . . . . 1.6599999999999999 110.513 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.25 -56.72 5.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.724 -1.235 . . . . 2.5899999999999999 110.194 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -103.46 70.3 1.03 Allowed 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 121.96 0.886 . . . . 2.5600000000000001 108.819 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CG2' ' A' ' 22' ' ' THR . 0.1 OUTLIER -116.68 53.26 0.9 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.541 -0.725 . . . . 4.6299999999999999 109.992 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.68 -46.38 0.6 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.99 . . . . 2.1000000000000001 109.133 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -90.45 -30.07 17.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.503 -0.748 . . . . 1.73 109.538 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.25 -17.31 26.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.101 -0.999 . . . . 0.97999999999999998 109.422 179.332 -131.954 82.834 -137.375 104.331 2.021 104.495 135.486 -158.235 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.003 HG22 HD23 ' A' ' 113' ' ' LEU . 6.6 p -89.36 10.58 21.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.938 -1.101 . . . . 0.77000000000000002 110.729 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.7 pt-20 -95.61 45.31 1.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.797 -1.19 . . . . 2.7999999999999998 108.122 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 28' ' ' CYS . 3.0 mt -135.9 94.37 3.05 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.871 -1.529 . . . . 1.8 106.871 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.3 p -43.37 132.91 4.39 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.684 0.754 . . . . 0.91000000000000003 112.208 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 113' ' ' LEU . 34.6 m -123.85 -145.05 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 107.617 -1.253 . . . . 0.87 107.617 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.63 139.46 47.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.326 -1.484 . . . . 0.80000000000000004 109.686 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 17.6 t0 -89.06 108.75 19.76 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.198 -0.939 . . . . 1.72 109.563 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 36' ' ' ILE . 3.6 pt -97.92 17.37 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.976 -1.078 . . . . 0.63 110.232 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.15 28.18 8.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.892 -1.13 . . . . 0.89000000000000001 109.403 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.22 -29.64 13.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 1.3700000000000001 109.807 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -138.16 83.27 1.96 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 1.9199999999999999 109.801 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 112.13 24.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 2.4399999999999999 109.106 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -124.34 -70.79 0.74 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.231 -0.918 . . . . 4.2800000000000002 109.869 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.31 22.41 14.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -0.955 . . . . 3.4500000000000002 110.187 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 47' ' ' GLU . 1.5 p -90.46 131.29 36.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 1.6399999999999999 109.323 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -165.66 1.26 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 2.02 109.501 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 18.5 pt-20 -71.45 -44.71 64.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.348 -0.845 . . . . 1.6200000000000001 109.844 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -59.79 -43.3 94.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 2.3799999999999999 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE1' HG22 ' A' ' 43' ' ' THR . 4.2 mt-10 -65.61 -37.93 88.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.047 -1.033 . . . . 2.2000000000000002 109.499 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.1 m -71.52 -18.22 62.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.92000000000000004 110.699 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 23.2 m-85 -87.39 -34.98 18.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.663 -1.273 . . . . 1.3200000000000001 110.235 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 95' ' ' TRP . 43.4 t -71.1 -37.54 72.39 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.247 -1.02 . . . . 1.1200000000000001 108.247 179.908 178.455 -123.527 121.95 103.809 2.013 103.39 150.465 -85.49 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -68.49 -53.93 20.16 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.286 -1.005 . . . . 2.3399999999999999 108.286 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.9 -15.17 61.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.579 -0.7 . . . . 0.46000000000000002 109.708 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 49' ' ' PHE . . . -79.95 -33.09 39.91 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.01 -1.056 . . . . 0.54000000000000004 108.372 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -69.5 -44.58 70.8 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.063 -1.088 . . . . 0.76000000000000001 108.063 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.37 -34.53 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.383 -0.969 . . . . 0.60999999999999999 108.383 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -68.95 -27.06 65.4 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.831 -0.803 . . . . 0.93000000000000005 108.831 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -68.27 -46.41 70.46 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.338 -0.851 . . . . 2.8999999999999999 108.749 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.66 -26.7 67.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.518 -0.739 . . . . 2.2200000000000002 109.603 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.685 ' HE2' HD22 ' A' ' 113' ' ' LEU . 14.1 t80 -71.9 -41.41 67.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.121 -0.987 . . . . 1.26 110.012 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.663 ' CB ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -88.37 -9.54 52.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.861 -1.149 . . . . 1.29 111.067 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -48.03 6.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.649 -1.282 . . . . 1.3200000000000001 110.368 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -90.5 -59.03 2.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.208 -0.933 . . . . 2.5899999999999999 111.274 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' HD13 ' A' ' 31' ' ' LEU . 37.7 m80 -62.04 -19.9 63.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.964 -1.085 . . . . 2.3199999999999998 110.875 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.79 -31.1 62.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.836 -1.165 . . . . 1.8500000000000001 109.955 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -128.17 52.48 1.88 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.106 -0.996 . . . . 3.54 109.832 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.15 132.6 56.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.081 -1.012 . . . . 2.1699999999999999 109.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -26.07 60.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.327 -0.858 . . . . 2.02 109.237 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -52.43 -63.69 1.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.88 . . . . 3.3599999999999999 110.384 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.18 -27.06 64.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.222 -0.924 . . . . 1.03 110.556 -178.921 -158.235 135.486 -137.375 104.495 2.021 104.331 82.834 -131.954 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.1 mt -55.79 -70.92 0.1 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.948 -1.095 . . . . 1.4199999999999999 109.39 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.98 -127.33 7.75 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.538 -1.425 . . . . 1.45 109.538 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.67 34.21 0.22 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.287 -1.125 . . . . 2.0099999999999998 109.369 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -140.04 159.7 41.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.888 . . . . 2.1899999999999999 109.657 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -29.72 43.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.198 -0.939 . . . . 1.55 108.995 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.4 -49.52 71.24 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 2.4500000000000002 109.498 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -62.94 -16.06 57.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 2.3500000000000001 110.274 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 70' ' ' LEU . 1.8 t80 -75.68 -43.66 46.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.848 -1.158 . . . . 2.0499999999999998 109.053 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -69.75 -37.36 76.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.41 -0.806 . . . . 1.6399999999999999 109.756 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -39.68 85.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.32 -0.862 . . . . 3.4300000000000002 109.371 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -62.58 -39.47 93.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.513 -0.742 . . . . 1.25 109.779 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -60.02 -35.3 74.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 2.5099999999999998 109.675 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -69.65 -30.6 68.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.93 . . . . 2.21 109.776 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -70.09 -42.54 72.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 1.0900000000000001 109.8 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.458 HD13 HD23 ' A' ' 83' ' ' LEU . 8.9 mm -63.57 -34.94 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.283 -0.885 . . . . 0.75 110.138 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.42 -54.73 15.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 3.1699999999999999 109.674 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.507 ' CD1' HG23 ' A' ' 17' ' ' THR . 0.4 OUTLIER -51.4 -30.57 19.54 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.6 0.714 . . . . 1.2 109.19 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 60' ' ' TYR . 1.3 mt -69.58 -52.44 26.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.506 -0.746 . . . . 1.71 110.397 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -50.98 -40.46 57.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.544 -0.722 . . . . 1.73 109.907 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.76 -41.81 95.61 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.406 -0.809 . . . . 2.1600000000000001 109.995 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 3.5 tp -78.34 -11.16 59.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.969 . . . . 1.1200000000000001 111.083 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.67 -30.88 28.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.442 -1.411 . . . . 1.6799999999999999 109.258 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -91.39 -32.23 15.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.595 -0.69 . . . . 3.4500000000000002 110.053 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.535 ' HB3' HD11 ' A' ' 14' ' ' ILE . 4.0 m120 -85.1 -45.89 11.65 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.112 -0.992 . . . . 1.4299999999999999 111.53 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 3.7 tp -51.22 -57.57 8.44 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.112 -0.993 . . . . 1.1399999999999999 110.904 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -88.91 -21.98 23.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.811 -1.18 . . . . 2.3100000000000001 110.45 -179.551 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.441 ' N ' ' CD1' ' A' ' 95' ' ' TRP . . . -52.87 -32.28 40.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.846 -1.701 . . . . 0.76000000000000001 108.846 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.436 HD22 HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -76.79 -37.44 55.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.385 -1.068 . . . . 1.6299999999999999 108.637 179.022 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.89 -42.9 65.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.508 -0.745 . . . . 1.1799999999999999 109.629 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.88 49.74 33.59 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.348 -1.501 . . . . 1.9399999999999999 109.348 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 ' SG ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -119.43 -179.31 3.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.388 -1.066 . . . . 3.2999999999999998 109.572 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.83 -78.71 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 3.0699999999999998 108.952 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.32 143.95 26.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.337 -0.852 . . . . 2.5 109.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.514 ' SG ' HD22 ' A' ' 100' ' ' LEU . 6.1 m -144.74 75.92 14.3 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.439 -0.949 . . . . 1.1000000000000001 108.439 179.346 -85.49 150.465 121.95 103.39 2.013 103.809 -123.527 178.455 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -57.55 86.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 122.589 2.193 . . . . 1.8400000000000001 111.748 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -74.45 125.29 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.224 -1.769 . . . . 1.9199999999999999 106.224 177.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -158.88 -36.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.132 -1.605 . . . . 4.6399999999999997 112.298 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.8 pt-20 -75.38 85.98 2.53 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.634 -1.291 . . . . 3.5499999999999998 109.813 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.423 ' HB1' ' N ' ' A' ' 35' ' ' ASP . . . -176.6 140.15 0.34 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.764 -1.21 . . . . 1.24 109.645 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.12 -172.05 3.18 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.161 -1.051 . . . . 2.1800000000000002 108.161 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.37 95.74 7.12 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.031 -1.043 . . . . 1.8200000000000001 109.516 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.62 178.79 5.69 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.736 -1.209 . . . . 1.26 107.736 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.3 p -100.73 139.54 36.27 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.784 -1.198 . . . . 0.71999999999999997 108.381 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.003 HD23 HG22 ' A' ' 29' ' ' THR . 1.2 tp -61.62 -14.85 34.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.834 -1.166 . . . . 1.1599999999999999 110.299 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.43 -51.57 62.47 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.491 -1.381 . . . . 1.78 108.833 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.16 -20.54 59.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.461 -0.774 . . . . 2.27 110.269 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -70.15 -57.04 5.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.953 -1.092 . . . . 0.67000000000000004 109.104 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 117' ' ' LEU . 11.6 mt -59.89 -33.75 72.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.367 -0.833 . . . . 1.6799999999999999 108.874 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.42 -50.23 74.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.248 -0.908 . . . . 2.0499999999999998 108.845 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -68.65 -18.03 64.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.581 -0.699 . . . . 2.73 110.162 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -74.96 -39.37 61.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.845 -1.159 . . . . 0.98999999999999999 109.251 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -73.98 -39.02 63.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 1.8500000000000001 109.498 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -45.38 87.12 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.463 0.649 . . . . 0.77000000000000002 110.036 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.0 mm -67.27 -42.39 87.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.436 -0.79 . . . . 1.1599999999999999 111.029 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.514 ' HE3' HG22 ' A' ' 14' ' ' ILE . 22.2 mmm -61.97 -51.8 66.58 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.068 -1.02 . . . . 0.82999999999999996 110.817 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -65.75 -61.8 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 3.6400000000000001 111.247 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -48.84 -44.86 39.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 2.3199999999999998 112.285 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -22.87 34.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.691 -1.255 . . . . 2.6099999999999999 111.781 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.754 ' CD2' HD11 ' A' ' 15' ' ' ILE . 17.4 m-85 -90.56 -7.08 53.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.386 -1.446 . . . . 4.4500000000000002 111.064 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -14.81 63.25 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.515 -1.366 . . . . 2.5099999999999998 108.141 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -120.26 7.84 10.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.194 -0.941 . . . . 4.9400000000000004 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 2.4 t -54.38 -58.11 8.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 3.3300000000000001 108.271 179.455 161.916 137.56 -176.827 103.912 2.017 104.746 -120.345 171.53 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 156.66 16.59 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.401 -1.333 . . . . 4.5599999999999996 107.401 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.49 1.568 0 O-C-N 120.966 -1.084 . . . . 6.6500000000000004 109.827 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.717 0.77 . . . . 9.26 109.833 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.99 -42.1 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.934 -1.136 . . . . 7.26 107.934 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.87 112.66 22.74 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.602 -0.888 . . . . 7.82 108.602 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.83 -168.16 0.17 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.286 -0.884 . . . . 4.96 108.736 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' CYS . 64.0 m-70 -110.82 102.59 11.1 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.097 -1.075 . . . . 4.69 108.097 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -55.3 95.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.278 -1.378 . . . . 6.54 107.278 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 20.7 t -179.28 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.886 0.851 . . . . 1.92 109.121 -177.338 171.53 -120.345 -176.827 104.746 2.017 103.912 137.56 161.916 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.07 -45.98 31.4 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.81 -1.181 . . . . 3.39 110.359 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.7 mt -90.97 -64.84 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.875 -1.14 . . . . 2.16 111.544 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -57.26 -35.81 70.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.159 -0.963 . . . . 0.98 111.582 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' CE1' ' A' ' 128' ' ' TYR . 0.9 OUTLIER -83.12 -45.3 14.12 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.919 -1.113 . . . . 1.27 111.804 -177.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.794 ' HA ' HD12 ' A' ' 15' ' ' ILE . 6.5 pt20 -58.62 -33.9 70.55 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.368 . . . . 2.14 108.324 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.07 -37.18 69.67 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.527 -1.286 . . . . 2.28 107.527 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -66.41 -18.34 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 109.132 -0.692 . . . . 0.8 109.132 178.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 12' ' ' GLN . 3.3 mt -79.47 -49.54 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.051 -1.031 . . . . 1.01 108.717 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -59.64 -33.06 71.04 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.736 -0.839 . . . . 2.03 108.736 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.507 HG23 ' CD1' ' A' ' 86' ' ' PHE . 27.2 m -70.31 -37.8 74.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.589 -0.893 . . . . 0.65 108.589 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 18' ' ' LEU . 2.3 tm? -64.08 -30.24 71.32 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.829 -0.804 . . . . 1.3 108.829 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.93 -26.12 36.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.242 -0.911 . . . . 1.65 109.021 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -64.57 -41.36 96.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.195 -0.941 . . . . 1.27 109.195 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.5 -15.87 63.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.196 -0.94 . . . . 1.08 109.798 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -77.18 -2.99 37.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.012 . . . . 1.66 110.513 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.25 -56.72 5.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.724 -1.235 . . . . 2.59 110.194 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -103.46 70.3 1.03 Allowed 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 121.96 0.886 . . . . 2.56 108.819 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CG2' ' A' ' 22' ' ' THR . 0.1 OUTLIER -116.68 53.26 0.9 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.541 -0.725 . . . . 4.63 109.992 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.68 -46.38 0.6 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.99 . . . . 2.1 109.133 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -90.45 -30.07 17.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.503 -0.748 . . . . 1.73 109.538 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.25 -17.31 26.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.101 -0.999 . . . . 0.98 109.422 179.332 -131.954 82.834 -137.375 104.331 2.021 104.495 135.486 -158.235 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.003 HG22 HD23 ' A' ' 113' ' ' LEU . 6.6 p -89.36 10.58 21.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.938 -1.101 . . . . 0.77 110.729 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.7 pt-20 -95.61 45.31 1.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.797 -1.19 . . . . 2.8 108.122 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 28' ' ' CYS . 3.0 mt -135.9 94.37 3.05 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.871 -1.529 . . . . 1.8 106.871 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.3 p -43.37 132.91 4.39 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.684 0.754 . . . . 0.91 112.208 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.673 HG21 HD12 ' A' ' 113' ' ' LEU . 34.6 m -123.85 -145.05 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 107.617 -1.253 . . . . 0.87 107.617 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.63 139.46 47.06 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.326 -1.484 . . . . 0.8 109.686 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 17.6 t0 -89.06 108.75 19.76 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.198 -0.939 . . . . 1.72 109.563 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 36' ' ' ILE . 3.6 pt -97.92 17.37 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 120.976 -1.078 . . . . 0.63 110.232 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -120.15 28.18 8.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.892 -1.13 . . . . 0.89 109.403 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.22 -29.64 13.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 1.37 109.807 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -138.16 83.27 1.96 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 1.92 109.801 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 112.13 24.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 2.44 109.106 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -124.34 -70.79 0.74 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.231 -0.918 . . . . 4.28 109.869 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.31 22.41 14.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -0.955 . . . . 3.45 110.187 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 47' ' ' GLU . 1.5 p -90.46 131.29 36.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 1.64 109.323 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -165.66 1.26 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.203 -0.936 . . . . 2.02 109.501 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 18.5 pt-20 -71.45 -44.71 64.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.348 -0.845 . . . . 1.62 109.844 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -59.79 -43.3 94.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 2.38 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE1' HG22 ' A' ' 43' ' ' THR . 4.2 mt-10 -65.61 -37.93 88.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.047 -1.033 . . . . 2.2 109.499 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.1 m -71.52 -18.22 62.28 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.92 110.699 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 23.2 m-85 -87.39 -34.98 18.58 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.663 -1.273 . . . . 1.32 110.235 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 95' ' ' TRP . 43.4 t -71.1 -37.54 72.39 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.247 -1.02 . . . . 1.12 108.247 179.908 178.455 -123.527 121.95 103.809 2.013 103.39 150.465 -85.49 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -68.49 -53.93 20.16 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.286 -1.005 . . . . 2.34 108.286 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.9 -15.17 61.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.579 -0.7 . . . . 0.46 109.708 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 49' ' ' PHE . . . -79.95 -33.09 39.91 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.01 -1.056 . . . . 0.54 108.372 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -69.5 -44.58 70.8 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.063 -1.088 . . . . 0.76 108.063 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.37 -34.53 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 108.383 -0.969 . . . . 0.61 108.383 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -68.95 -27.06 65.4 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.831 -0.803 . . . . 0.93 108.831 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -68.27 -46.41 70.46 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.338 -0.851 . . . . 2.9 108.749 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.66 -26.7 67.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.518 -0.739 . . . . 2.22 109.603 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.685 ' HE2' HD22 ' A' ' 113' ' ' LEU . 14.1 t80 -71.9 -41.41 67.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.121 -0.987 . . . . 1.26 110.012 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.663 ' CB ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -88.37 -9.54 52.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.861 -1.149 . . . . 1.29 111.067 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -48.03 6.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.649 -1.282 . . . . 1.32 110.368 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -90.5 -59.03 2.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.208 -0.933 . . . . 2.59 111.274 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.463 ' CE1' HD13 ' A' ' 31' ' ' LEU . 81.1 m-70 -62.04 -19.9 63.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.964 -1.085 . . . . 2.32 110.875 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.79 -31.1 62.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.836 -1.165 . . . . 1.85 109.955 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -128.17 52.48 1.88 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.106 -0.996 . . . . 3.54 109.832 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.15 132.6 56.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.081 -1.012 . . . . 2.17 109.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -26.07 60.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.327 -0.858 . . . . 2.02 109.237 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -52.43 -63.69 1.06 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.88 . . . . 3.36 110.384 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.18 -27.06 64.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.222 -0.924 . . . . 1.03 110.556 -178.921 -158.235 135.486 -137.375 104.495 2.021 104.331 82.834 -131.954 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.1 mt -55.79 -70.92 0.1 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.948 -1.095 . . . . 1.42 109.39 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.98 -127.33 7.75 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.538 -1.425 . . . . 1.45 109.538 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.67 34.21 0.22 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.287 -1.125 . . . . 2.01 109.369 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -140.04 159.7 41.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.888 . . . . 2.19 109.657 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -29.72 43.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.198 -0.939 . . . . 1.55 108.995 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -64.4 -49.52 71.24 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 2.45 109.498 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -62.94 -16.06 57.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 2.35 110.274 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 70' ' ' LEU . 1.8 t80 -75.68 -43.66 46.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.848 -1.158 . . . . 2.05 109.053 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -69.75 -37.36 76.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.41 -0.806 . . . . 1.64 109.756 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -39.68 85.06 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.32 -0.862 . . . . 3.43 109.371 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.537 ' CE1' HD11 ' A' ' 84' ' ' ILE . 7.0 t60 -62.58 -39.47 93.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.513 -0.742 . . . . 1.25 109.779 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -60.02 -35.3 74.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 2.51 109.675 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -69.65 -30.6 68.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.93 . . . . 2.21 109.776 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -70.09 -42.54 72.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 1.09 109.8 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.537 HD11 ' CE1' ' A' ' 80' ' ' HIS . 8.9 mm -63.57 -34.94 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.283 -0.885 . . . . 0.75 110.138 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.42 -54.73 15.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 3.17 109.674 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.507 ' CD1' HG23 ' A' ' 17' ' ' THR . 0.4 OUTLIER -51.4 -30.57 19.54 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.6 0.714 . . . . 1.2 109.19 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 60' ' ' TYR . 1.3 mt -69.58 -52.44 26.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.506 -0.746 . . . . 1.71 110.397 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -50.98 -40.46 57.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.544 -0.722 . . . . 1.73 109.907 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.76 -41.81 95.61 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.406 -0.809 . . . . 2.16 109.995 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 3.5 tp -78.34 -11.16 59.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.149 -0.969 . . . . 1.12 111.083 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.67 -30.88 28.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.442 -1.411 . . . . 1.68 109.258 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -91.39 -32.23 15.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.595 -0.69 . . . . 3.45 110.053 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.535 ' HB3' HD11 ' A' ' 14' ' ' ILE . 4.0 m120 -85.1 -45.89 11.65 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.112 -0.992 . . . . 1.43 111.53 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 3.7 tp -51.22 -57.57 8.44 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.112 -0.993 . . . . 1.14 110.904 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -88.91 -21.98 23.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.811 -1.18 . . . . 2.31 110.45 -179.551 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.441 ' N ' ' CD1' ' A' ' 95' ' ' TRP . . . -52.87 -32.28 40.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 108.846 -1.701 . . . . 0.76 108.846 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.436 HD22 HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -76.79 -37.44 55.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.385 -1.068 . . . . 1.63 108.637 179.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.89 -42.9 65.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.508 -0.745 . . . . 1.18 109.629 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.88 49.74 33.59 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.348 -1.501 . . . . 1.94 109.348 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 ' SG ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -119.43 -179.31 3.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.388 -1.066 . . . . 3.3 109.572 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.83 -78.71 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.297 -0.877 . . . . 3.07 108.952 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.32 143.95 26.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.337 -0.852 . . . . 2.5 109.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.514 ' SG ' HD22 ' A' ' 100' ' ' LEU . 6.1 m -144.74 75.92 14.3 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.439 -0.949 . . . . 1.1 108.439 179.346 -85.49 150.465 121.95 103.39 2.013 103.809 -123.527 178.455 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -57.55 86.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 122.589 2.193 . . . . 1.84 111.748 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -74.45 125.29 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.224 -1.769 . . . . 1.92 106.224 177.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -158.88 -36.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.132 -1.605 . . . . 4.64 112.298 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 107' ' ' GLU . 6.8 pt-20 -75.38 85.98 2.53 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.634 -1.291 . . . . 3.55 109.813 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.423 ' HB1' ' N ' ' A' ' 35' ' ' ASP . . . -176.6 140.15 0.34 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.764 -1.21 . . . . 1.24 109.645 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.12 -172.05 3.18 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.161 -1.051 . . . . 2.18 108.161 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.37 95.74 7.12 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.031 -1.043 . . . . 1.82 109.516 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.62 178.79 5.69 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.736 -1.209 . . . . 1.26 107.736 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.3 p -100.73 139.54 36.27 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.784 -1.198 . . . . 0.72 108.381 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.003 HD23 HG22 ' A' ' 29' ' ' THR . 1.2 tp -61.62 -14.85 34.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.834 -1.166 . . . . 1.16 110.299 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.43 -51.57 62.47 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.491 -1.381 . . . . 1.78 108.833 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.16 -20.54 59.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.461 -0.774 . . . . 2.27 110.269 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -70.15 -57.04 5.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.953 -1.092 . . . . 0.67 109.104 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 117' ' ' LEU . 11.6 mt -59.89 -33.75 72.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.367 -0.833 . . . . 1.68 108.874 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.42 -50.23 74.45 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.248 -0.908 . . . . 2.05 108.845 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -68.65 -18.03 64.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.581 -0.699 . . . . 2.73 110.162 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -74.96 -39.37 61.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.845 -1.159 . . . . 0.99 109.251 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -73.98 -39.02 63.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 1.85 109.498 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -45.38 87.12 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.463 0.649 . . . . 0.77 110.036 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.0 mm -67.27 -42.39 87.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.436 -0.79 . . . . 1.16 111.029 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.514 ' HE3' HG22 ' A' ' 14' ' ' ILE . 22.2 mmm -61.97 -51.8 66.58 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.068 -1.02 . . . . 0.83 110.817 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -65.75 -61.8 1.87 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 3.64 111.247 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -48.84 -44.86 39.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 2.32 112.285 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -22.87 34.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.691 -1.255 . . . . 2.61 111.781 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.754 ' CD2' HD11 ' A' ' 15' ' ' ILE . 17.4 m-85 -90.56 -7.08 53.78 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.386 -1.446 . . . . 4.45 111.064 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -14.81 63.25 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.515 -1.366 . . . . 2.51 108.141 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -120.26 7.84 10.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.194 -0.941 . . . . 4.94 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 2.4 t -54.38 -58.11 8.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.847 -1.158 . . . . 3.33 108.271 179.455 161.916 137.56 -176.827 103.912 2.017 104.746 -120.345 171.53 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 156.66 16.59 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.401 -1.333 . . . . 4.56 107.401 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.49 1.568 0 O-C-N 120.966 -1.084 . . . . 6.65 109.827 -179.351 . . . . . . . . 0 0 . 1 stop_ save_