data_1zfs_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 1zfs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 t . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 44.0 mt-10 -60.82 -46.75 89.3 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.334 -0.854 . . . . 0.0 109.664 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -74.4 -40.07 62.27 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.25 -40.04 93.47 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 2' ' ' SER . 19.8 m -63.27 -22.0 66.59 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.8 74.59 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.012 0.911 . . . . 0.0 109.505 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ttt -77.5 -37.22 51.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.438 -0.789 . . . . 0.0 110.288 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.98 -36.1 74.94 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.518 -0.739 . . . . 0.0 110.915 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -71.86 -54.21 10.82 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 111.412 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -29.04 68.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.257 -1.527 . . . . 0.0 109.556 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.93 -34.28 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.587 -1.321 . . . . 0.0 110.456 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.47 -46.7 53.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.114 -0.991 . . . . 0.0 110.844 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.08 -32.89 60.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 56.0 t80 -61.04 -40.03 92.05 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -89.36 -4.55 58.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.99 -38.88 24.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.251 -0.905 . . . . 0.0 109.251 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 89.2 m-70 -102.32 -34.71 9.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.392 -0.817 . . . . 0.0 110.48 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -61.25 -40.0 92.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.12 -0.988 . . . . 0.0 110.645 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.07 86.12 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -80.46 -20.38 43.88 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.412 -1.052 . . . . 0.0 109.417 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -94.35 -6.57 43.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.714 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 96.0 -38.86 2.97 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.71 70.04 0.93 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLY . 27.3 ttmt -79.51 -11.89 59.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.813 -0.554 . . . . 0.0 110.292 -177.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -92.2 -15.36 27.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.056 -1.027 . . . . 0.0 109.972 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.94 145.6 31.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.068 -1.02 . . . . 0.0 109.154 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.47 166.86 18.98 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.9 t -137.05 167.56 21.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.966 -1.083 . . . . 0.0 110.257 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.14 84.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 111.461 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -75.73 -32.95 60.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.659 -1.276 . . . . 0.0 111.04 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 29' ' ' SER . 61.8 mt-10 -61.61 -49.96 74.51 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.068 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.17 -31.38 72.54 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.386 -0.821 . . . . 0.0 110.4 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -59.96 -39.96 87.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 108.823 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 18' ' ' HIS . 19.5 t70 -68.58 -40.39 80.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.587 0.708 . . . . 0.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.64 -41.23 98.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.989 -1.069 . . . . 0.0 112.014 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -78.98 -41.75 28.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.674 -1.266 . . . . 0.0 111.493 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.547 -0.72 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 2.3 p -76.35 -57.96 3.56 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.139 -0.976 . . . . 0.0 111.439 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 7.6 mt-10 -110.97 -28.09 8.5 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.048 . . . . 0.0 112.446 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.5 28.15 8.66 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.935 -1.103 . . . . 0.0 110.755 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -60.03 -50.3 74.26 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.935 -1.103 . . . . 0.0 110.957 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -63.84 -39.96 95.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.205 -0.935 . . . . 0.0 111.809 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -76.98 -69.22 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.793 -1.192 . . . . 0.0 110.331 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.42 98.26 9.4 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -57.68 139.35 53.96 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -163.53 -52.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.885 -1.135 . . . . 0.0 110.065 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -61.29 -41.91 97.75 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.83 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -71.88 -39.92 69.29 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.831 -1.168 . . . . 0.0 109.354 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -103.22 83.95 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.192 -0.942 . . . . 0.0 109.227 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -24.12 64.2 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.907 -1.121 . . . . 0.0 108.726 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.03 -28.93 67.0 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.28 75.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.889 -0.507 . . . . 0.0 109.799 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -75.83 -29.0 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.878 -1.139 . . . . 0.0 110.326 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -68.92 -42.04 77.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.794 1.283 . . . . 0.0 108.698 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.07 -40.05 86.98 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -40.03 84.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.096 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.3 -26.03 58.38 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.924 -1.11 . . . . 0.0 109.079 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.87 -43.89 90.95 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.173 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.11 -40.01 95.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.96 . . . . 0.0 108.519 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 5.2 mp -71.53 -56.17 6.42 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.74 0.781 . . . . 0.0 109.103 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.5 m-20 -81.95 42.42 0.72 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.07 -22.92 4.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 62' ' ' ASP . 75.9 m-20 -79.75 -8.76 59.45 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.635 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 69.07 34.79 76.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' A' ' 68' ' ' GLU . 43.0 p-10 -92.02 -0.05 57.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.209 -1.171 . . . . 0.0 110.959 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.04 5.13 0.56 Allowed Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.8 mt-10 -129.67 151.94 49.72 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.22 150.59 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 121.451 0.643 . . . . 0.0 110.31 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.8 18.87 7.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 109.707 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 46.9 t80 62.6 -42.25 0.18 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 122.071 -0.393 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . 60.2 tt0 -65.53 -40.07 92.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.508 -1.37 . . . . 0.0 108.99 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 81.2 mt-10 -60.14 -40.0 88.29 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.284 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -59.93 -39.81 81.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.882 -1.136 . . . . 0.0 111.402 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.23 -40.02 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.473 -1.392 . . . . 0.0 111.581 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.78 -57.47 6.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.844 -1.16 . . . . 0.0 111.419 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.09 -22.49 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.885 -1.135 . . . . 0.0 110.99 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.03 75.48 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.77 -1.206 . . . . 0.0 109.24 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.33 75.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 112.255 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.7 -46.83 74.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.565 -1.334 . . . . 0.0 111.919 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 14.3 t -69.41 -40.1 77.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.875 -1.141 . . . . 0.0 110.383 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 82' ' ' THR . 54.6 t -59.95 -41.08 84.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.876 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.87 94.3 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.643 . . . . 0.0 109.622 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -41.25 91.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.765 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.11 -40.13 88.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.685 -1.26 . . . . 0.0 109.732 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -71.65 -24.68 61.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.626 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.04 -45.33 93.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 C--N 1.304 -1.396 0 O-C-N 121.186 -0.947 . . . . 0.0 109.249 179.178 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 1.3 t . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 44.9 mt-10 -60.86 -46.71 89.51 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.363 -0.836 . . . . 0.0 109.612 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.461 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.4 tt -74.39 -40.05 62.3 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.41 -39.95 92.77 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.6 m -63.31 -21.83 66.5 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.98 74.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.095 0.95 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.38 -37.17 52.66 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.477 -0.764 . . . . 0.0 110.379 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.05 -36.34 74.92 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.541 -0.724 . . . . 0.0 110.931 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -71.85 -54.39 10.27 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.355 -0.841 . . . . 0.0 111.302 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -29.06 68.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.252 -1.53 . . . . 0.0 109.446 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.95 -34.06 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.668 -1.27 . . . . 0.0 110.561 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -73.05 -46.37 52.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.835 -1.166 . . . . 0.0 110.8 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.53 -33.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 55.8 t80 -61.0 -39.99 91.83 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -89.76 -3.45 58.16 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.84 -38.87 22.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.159 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 89.0 m-70 -102.45 -34.46 9.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.383 -0.823 . . . . 0.0 110.48 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -61.41 -39.96 92.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.15 -0.969 . . . . 0.0 110.627 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.23 -1.98 85.93 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -80.71 -20.21 43.35 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.515 -0.991 . . . . 0.0 109.319 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -94.52 -6.46 43.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 109.708 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 95.88 -38.75 3.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.74 70.01 0.94 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.9 ttmt -79.54 -11.85 59.88 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.935 -0.478 . . . . 0.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -91.97 -16.01 27.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.063 -1.023 . . . . 0.0 109.89 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 145.3 31.76 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.0 -1.063 . . . . 0.0 109.174 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -82.16 166.89 19.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.529 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 34.8 t -136.14 168.88 18.55 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.9 -1.125 . . . . 0.0 110.257 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -40.5 89.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.61 -0.682 . . . . 0.0 111.329 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -76.01 -32.81 59.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.729 -1.232 . . . . 0.0 111.135 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' B' ' 29' ' ' SER . 61.8 mt-10 -61.54 -50.0 74.43 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.392 -0.818 . . . . 0.0 110.963 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -31.48 72.67 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.45 -0.781 . . . . 0.0 110.378 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.94 -40.0 87.44 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.271 -0.893 . . . . 0.0 108.793 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' CE1' ' B' ' 18' ' ' HIS . 19.2 t70 -68.75 -39.0 80.51 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.466 0.651 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.29 -40.8 94.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.014 -1.054 . . . . 0.0 111.878 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.0 -41.86 27.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.633 -1.292 . . . . 0.0 111.522 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.01 -19.98 63.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 2.4 p -76.24 -58.21 3.41 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.095 -1.003 . . . . 0.0 111.465 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 7.9 mt-10 -110.9 -27.9 8.61 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.047 -1.033 . . . . 0.0 112.573 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.66 28.21 8.64 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.909 -1.119 . . . . 0.0 110.705 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.4 t -60.05 -50.11 75.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.924 -1.11 . . . . 0.0 110.923 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.9 m -63.93 -40.08 95.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.271 -0.893 . . . . 0.0 111.756 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -77.02 -69.28 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.767 -1.208 . . . . 0.0 110.321 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -83.32 98.3 9.37 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.74 139.2 54.48 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -163.53 -52.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.907 -1.121 . . . . 0.0 110.047 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.2 -41.8 97.46 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.884 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.0 -39.64 69.09 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.363 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -103.34 83.74 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.277 -0.889 . . . . 0.0 109.287 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.1 64.34 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.88 -1.137 . . . . 0.0 108.738 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.93 -29.32 67.55 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.33 76.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.0 p -75.1 -29.02 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.897 -1.127 . . . . 0.0 110.435 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -69.27 -41.8 76.39 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.733 1.254 . . . . 0.0 108.59 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.31 -40.0 85.97 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -39.97 85.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.075 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ptm -75.54 -26.02 57.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.821 -1.175 . . . . 0.0 109.048 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.543 -0.723 . . . . 0.0 109.126 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 0.0 108.511 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.4 mp -71.48 -56.28 6.24 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.766 0.793 . . . . 0.0 109.146 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 94.7 m-20 -81.88 42.64 0.72 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -52.35 -22.57 4.73 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 75.9 m-20 -79.9 -8.85 59.54 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.679 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.97 77.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.8 p-10 -92.24 -0.03 57.43 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.271 -1.135 . . . . 0.0 110.917 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.8 5.44 0.57 Allowed Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.2 mt-10 -129.59 151.86 49.74 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.407 HG12 ' H ' ' B' ' 71' ' ' PHE . 23.3 t -122.2 150.51 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-O 121.426 0.631 . . . . 0.0 110.373 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.0 m-20 -91.74 18.73 7.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.51 -0.744 . . . . 0.0 109.691 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 47.0 t80 62.74 -42.55 0.18 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.961 -0.462 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 60.1 tt0 -65.39 -39.98 92.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.521 -1.362 . . . . 0.0 109.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 81.0 mt-10 -60.08 -40.03 88.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.923 -1.11 . . . . 0.0 108.339 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.24 -48.38 81.7 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -59.99 -39.96 81.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.786 -1.196 . . . . 0.0 111.333 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.56 -40.02 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.803 -1.186 . . . . 0.0 111.619 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.25 -57.5 5.88 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.773 -1.204 . . . . 0.0 111.435 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -70.06 -22.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.869 -1.144 . . . . 0.0 111.026 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.41 74.65 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.704 -1.247 . . . . 0.0 109.206 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.42 76.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 112.221 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.73 -46.78 74.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.552 -1.343 . . . . 0.0 112.007 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -69.52 -40.1 77.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.842 -1.161 . . . . 0.0 110.337 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 108.72 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.78 94.03 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.693 -0.63 . . . . 0.0 109.712 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.347 -0.845 . . . . 0.0 110.66 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.07 -40.13 88.44 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.683 -1.261 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.72 -24.5 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.212 -0.93 . . . . 0.0 109.672 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.03 -45.47 92.72 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.304 -0.872 . . . . 0.0 109.74 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--N 1.304 -1.412 0 O-C-N 121.23 -0.919 . . . . 0.0 109.295 179.186 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 6' ' ' THR . 17.5 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.296 0.57 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.63 -56.85 3.61 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.33 -0.856 . . . . 0.0 111.587 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.5 OUTLIER -60.9 -45.7 93.56 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.191 -0.943 . . . . 0.0 109.693 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 60.7 tt0 -63.15 -40.04 96.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.277 -0.89 . . . . 0.0 109.054 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 2' ' ' SER . 9.1 m -63.61 -21.07 66.16 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.3 77.59 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.619 -0.675 . . . . 0.0 110.8 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.27 -36.52 29.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.638 -1.289 . . . . 0.0 110.401 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 64.2 mm-40 -69.9 -34.08 73.04 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.337 -0.852 . . . . 0.0 110.466 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -75.38 -45.03 41.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.392 -0.817 . . . . 0.0 112.054 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 2.8 pp -72.5 -28.33 62.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.119 -1.613 . . . . 0.0 109.221 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.99 -39.2 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.188 -0.945 . . . . 0.0 109.777 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.4 m-20 -70.04 -41.03 74.77 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.877 0.846 . . . . 0.0 110.33 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -27.74 23.14 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.5 m-85 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -85.86 -10.43 55.36 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.565 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.89 53.45 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.912 -1.117 . . . . 0.0 109.421 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.42 -21.59 14.23 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.391 -0.818 . . . . 0.0 111.446 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 58.8 m -67.59 -33.01 74.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.983 -1.073 . . . . 0.0 110.825 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.36 2.35 63.01 Favored Glycine 0 N--CA 1.498 2.772 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -70.05 -32.12 70.08 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.19 -7.44 42.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.636 -0.665 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.61 -15.05 64.15 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 27' ' ' LYS . 57.2 t0 -84.84 56.04 3.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.123 -1.222 . . . . 0.0 107.767 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -76.71 -7.13 54.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.948 -0.47 . . . . 0.0 110.902 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.93 -14.31 48.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.765 -1.209 . . . . 0.0 108.733 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' ASP . 16.4 ttmm -160.04 160.03 32.72 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.1 tp -83.51 163.96 20.13 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.824 -1.173 . . . . 0.0 108.115 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -136.82 167.83 20.71 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.717 -1.239 . . . . 0.0 110.822 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.97 -39.9 87.26 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.39 -0.819 . . . . 0.0 112.285 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -76.19 -29.99 57.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.43 -1.419 . . . . 0.0 110.335 -178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.32 -46.64 72.88 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.245 -0.91 . . . . 0.0 111.502 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.71 -35.68 75.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.274 -0.891 . . . . 0.0 110.845 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.11 -39.87 87.72 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.921 -1.112 . . . . 0.0 109.439 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 60.1 t0 -62.21 -39.28 92.23 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.491 -0.756 . . . . 0.0 110.075 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.95 -39.15 87.19 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.332 -0.855 . . . . 0.0 111.722 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 44.3 mt -78.16 -43.18 29.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.425 -1.422 . . . . 0.0 111.472 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.73 -19.2 65.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.667 -0.645 . . . . 0.0 111.041 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -94.99 -45.23 7.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.859 -1.151 . . . . 0.0 111.164 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 2.8 mt-10 -108.32 -34.24 6.86 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.737 -1.227 . . . . 0.0 112.859 -177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.41 26.59 10.42 Favored 'General case' 0 N--CA 1.516 2.843 0 O-C-N 121.019 -1.05 . . . . 0.0 110.747 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 t -60.02 -47.35 86.22 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 m -61.54 -40.08 93.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.145 -0.972 . . . . 0.0 111.367 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -79.8 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.81 -1.181 . . . . 0.0 109.559 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 10.5 mp -84.04 98.43 9.85 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.09 140.02 57.12 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 118.507 -1.277 . . . . 0.0 107.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.417 ' H ' ' NE2' ' A' ' 48' ' ' GLN . 1.3 p -160.24 -53.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.118 . . . . 0.0 110.651 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.92 -42.79 94.7 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.651 -178.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -71.91 -40.23 68.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.828 -1.17 . . . . 0.0 109.216 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -106.75 85.16 2.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.998 -1.064 . . . . 0.0 109.498 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.88 57.38 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.128 -0.982 . . . . 0.0 108.631 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 19.4 p-10 -77.25 -19.9 55.94 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.722 -1.236 . . . . 0.0 108.05 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.85 76.75 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.31 -27.62 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.584 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.58 -40.07 84.84 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.403 1.097 . . . . 0.0 108.124 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.91 -40.14 75.78 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.388 1.089 . . . . 0.0 110.73 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mtp -73.53 -29.98 62.8 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.867 0.841 . . . . 0.0 109.223 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -50.79 -41.64 57.26 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.479 -0.763 . . . . 0.0 109.277 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 -30.06 64.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.026 -1.046 . . . . 0.0 109.727 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.9 mp -68.53 -160.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.315 -0.866 . . . . 0.0 109.69 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.635 ' C ' ' H ' ' A' ' 64' ' ' ASN . 65.6 t0 -64.38 58.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.817 . . . . 0.0 110.561 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LEU . 33.5 tt0 -74.24 37.35 0.1 Allowed 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.635 ' H ' ' C ' ' A' ' 62' ' ' ASP . 8.0 t-20 -85.85 -4.97 59.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 11.07 15.59 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.597 ' C ' ' H ' ' A' ' 68' ' ' GLU . 45.4 t0 -70.05 -44.18 69.69 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.729 -0.865 . . . . 0.0 110.527 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.11 -7.74 9.77 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.597 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.9 mt-10 -122.98 131.37 53.68 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 t -96.14 143.61 11.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.507 -0.745 . . . . 0.0 110.01 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.0 t70 -83.73 29.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.468 -0.77 . . . . 0.0 111.3 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 61.01 -57.3 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.684 -0.635 . . . . 0.0 111.258 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 tt0 -60.04 -39.39 85.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.711 -1.243 . . . . 0.0 109.734 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.879 -1.138 . . . . 0.0 109.894 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.89 -47.74 61.33 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.34 -0.85 . . . . 0.0 113.232 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -59.99 -40.01 81.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.696 -1.253 . . . . 0.0 111.285 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.01 -39.96 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.646 -1.284 . . . . 0.0 111.293 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.37 -56.65 12.96 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.224 -0.923 . . . . 0.0 110.735 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.35 -20.98 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.407 -0.808 . . . . 0.0 111.293 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.55 19.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.979 -1.076 . . . . 0.0 109.757 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.96 94.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.427 -0.796 . . . . 0.0 111.203 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.39 -41.85 97.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.788 -1.195 . . . . 0.0 111.109 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -69.2 -39.24 78.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.936 -1.103 . . . . 0.0 110.548 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.13 -42.33 89.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.402 -0.812 . . . . 0.0 109.63 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.99 78.19 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.48 -0.763 . . . . 0.0 110.061 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.77 -38.83 82.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.201 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -39.2 85.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.67 -39.96 91.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.029 -1.045 . . . . 0.0 109.478 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.32 -35.23 79.68 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.392 -0.818 . . . . 0.0 109.831 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.3 -1.554 0 O-C-N 121.336 -0.852 . . . . 0.0 109.131 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.445 ' O ' ' OG1' ' B' ' 6' ' ' THR . 18.3 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.26 0.552 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -82.88 -56.53 3.76 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.244 -0.91 . . . . 0.0 111.462 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.502 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -60.75 -46.01 92.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.263 -0.898 . . . . 0.0 109.704 -178.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 60.2 tt0 -62.91 -40.06 96.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.357 -0.84 . . . . 0.0 109.08 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 2' ' ' SER . 11.8 m -63.79 -21.02 66.22 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.19 77.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.643 -0.661 . . . . 0.0 110.853 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -81.18 -37.14 29.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.591 -1.318 . . . . 0.0 110.446 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 63.1 mm-40 -69.31 -33.95 73.93 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.365 -0.835 . . . . 0.0 110.601 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -75.68 -45.34 37.48 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 111.931 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 2.7 pp -72.02 -28.44 63.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.075 -1.641 . . . . 0.0 109.154 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -70.06 -38.91 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.096 -1.003 . . . . 0.0 109.923 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -70.47 -40.73 73.5 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.93 0.871 . . . . 0.0 110.475 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -27.57 23.04 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 1.5 m-85 -64.34 -39.99 94.98 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -85.75 -10.75 55.08 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.26 54.93 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 120.932 -1.105 . . . . 0.0 109.458 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -102.68 -21.7 14.07 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.449 -0.782 . . . . 0.0 111.416 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 64.1 m -67.55 -32.83 73.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.017 -1.052 . . . . 0.0 110.805 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 2.57 62.55 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -70.03 -32.13 70.11 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -94.28 -7.4 42.06 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.582 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.8 -15.2 63.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' LYS . 57.3 t0 -84.82 55.98 3.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.125 -1.221 . . . . 0.0 107.861 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.61 -7.42 55.22 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.888 -0.507 . . . . 0.0 110.772 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -84.5 -14.53 48.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.213 . . . . 0.0 108.739 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 24' ' ' ASP . 16.1 ttmm -160.19 160.01 32.3 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.34 163.84 20.39 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.77 -1.206 . . . . 0.0 108.137 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -136.41 168.13 20.02 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.737 -1.227 . . . . 0.0 110.679 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.42 ' HZ1' HG23 ' B' ' 54' ' ' VAL . 60.9 tttp -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.355 -0.841 . . . . 0.0 112.329 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -76.25 -29.94 57.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.487 -1.383 . . . . 0.0 110.432 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.37 -46.77 72.38 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.321 -0.862 . . . . 0.0 111.485 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.65 -35.47 75.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 110.939 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.06 -40.05 88.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.98 -1.075 . . . . 0.0 109.352 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 60.7 t0 -62.86 -37.4 86.7 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.474 -0.766 . . . . 0.0 110.354 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.34 -38.94 81.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 111.742 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 42' ' ' SER . 40.0 mt -78.4 -43.34 27.71 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.416 -1.428 . . . . 0.0 111.42 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -65.19 -19.86 66.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.619 -0.676 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 5.0 t -94.54 -45.02 7.58 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.775 -1.203 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 2.8 mt-10 -108.35 -34.58 6.76 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.659 -1.276 . . . . 0.0 112.867 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -112.18 26.66 10.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.037 -1.039 . . . . 0.0 110.716 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' B' ' 37' ' ' LEU . 14.3 t -59.92 -47.62 85.03 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.344 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -61.53 -40.0 93.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.252 -0.905 . . . . 0.0 111.523 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.81 -69.67 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.743 -1.223 . . . . 0.0 109.502 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' B' ' 45' ' ' LEU . 10.8 mp -84.35 98.21 9.89 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.97 139.93 57.09 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.613 -1.235 . . . . 0.0 107.884 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.402 ' H ' ' NE2' ' B' ' 48' ' ' GLN . 1.4 p -160.37 -53.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.92 -1.113 . . . . 0.0 110.646 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.466 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.0 -42.59 94.59 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.879 -1.128 . . . . 0.0 109.617 -178.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -72.11 -39.97 68.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.766 -1.208 . . . . 0.0 109.14 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -106.77 84.91 2.07 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.011 -1.056 . . . . 0.0 109.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.51 54.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.12 -0.988 . . . . 0.0 108.694 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 19.3 p-10 -77.59 -19.95 54.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.714 -1.241 . . . . 0.0 108.015 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.76 76.58 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.42 HG23 ' HZ1' ' B' ' 30' ' ' LYS . 6.2 p -76.3 -27.43 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.509 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -67.92 -40.1 83.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.413 1.101 . . . . 0.0 108.11 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.92 -40.08 75.78 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.347 1.07 . . . . 0.0 110.74 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -39.97 84.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtp -73.47 -29.88 62.81 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.861 . . . . 0.0 109.356 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -50.77 -41.82 57.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.554 -0.717 . . . . 0.0 109.24 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -72.11 -30.17 64.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.021 . . . . 0.0 109.881 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.7 mp -68.5 -160.43 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.28 -0.887 . . . . 0.0 109.55 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.615 ' C ' ' H ' ' B' ' 64' ' ' ASN . 65.4 t0 -64.46 57.97 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 0.0 110.534 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 61' ' ' LEU . 32.8 tt0 -74.3 37.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.615 ' H ' ' C ' ' B' ' 62' ' ' ASP . 7.9 t-20 -86.0 -4.94 59.28 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 10.88 16.0 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.605 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.7 t0 -70.0 -44.42 69.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.786 -0.832 . . . . 0.0 110.579 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 -8.12 10.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 106.793 -2.523 . . . . 0.0 106.793 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.605 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.4 mt-10 -122.69 131.48 53.81 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 t -96.3 143.74 11.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.519 -0.738 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' B' ' 72' ' ' GLN . 8.0 t70 -84.15 30.27 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 111.29 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 60.9 -57.24 0.09 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.736 -0.602 . . . . 0.0 111.319 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.7 tt0 -60.03 -39.56 86.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.696 -1.253 . . . . 0.0 109.77 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.871 -1.143 . . . . 0.0 109.98 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -69.84 -47.7 61.72 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 p -60.1 -39.91 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.114 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -69.82 -40.0 78.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.088 -1.008 . . . . 0.0 111.176 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.78 -56.67 12.14 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.087 -1.008 . . . . 0.0 110.873 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -72.32 -20.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.46 -0.775 . . . . 0.0 111.187 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.58 19.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.067 -1.021 . . . . 0.0 109.842 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.1 95.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 111.103 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.72 -42.36 97.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.811 -1.18 . . . . 0.0 111.114 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -68.86 -39.65 79.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.879 -1.138 . . . . 0.0 110.445 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.86 -42.17 88.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.514 -0.741 . . . . 0.0 109.588 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.98 78.26 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.78 -38.95 83.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.898 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.01 -39.15 84.82 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.507 -0.745 . . . . 0.0 110.224 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.75 -40.04 91.67 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.892 -1.13 . . . . 0.0 109.464 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.19 -35.24 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.399 -0.813 . . . . 0.0 109.868 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 0.0 109.112 -179.431 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 6' ' ' THR . 70.6 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.95 -40.04 75.67 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.32 -40.01 89.65 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.726 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.1 m -66.68 -21.03 66.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.6 78.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.361 0.6 . . . . 0.0 110.593 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 8' ' ' MET . 1.2 mpt? -81.82 -39.14 24.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.595 -1.316 . . . . 0.0 110.522 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 78.5 mm-40 -69.64 -28.13 65.64 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 120.918 -1.114 . . . . 0.0 110.907 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 6' ' ' THR . 9.6 t -80.15 -47.66 14.39 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.464 -0.772 . . . . 0.0 111.852 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.32 -27.95 66.73 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 117.864 -1.534 . . . . 0.0 108.589 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 8' ' ' MET . 6.0 mm -70.04 -40.07 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 121.593 0.711 . . . . 0.0 110.27 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 12.6 m120 -67.05 -39.95 87.03 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.976 0.893 . . . . 0.0 109.778 -178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -28.5 20.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -89.93 -10.0 46.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.04 56.59 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 119.151 -1.02 . . . . 0.0 109.043 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CE1' ' HZ2' ' A' ' 31' ' ' LYS . 54.3 t-80 -101.27 -38.57 8.02 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.477 -0.764 . . . . 0.0 111.213 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -60.11 -35.88 76.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.042 -1.036 . . . . 0.0 110.44 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.74 6.71 77.22 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -84.49 -25.39 28.91 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.619 -0.93 . . . . 0.0 109.629 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -96.77 -7.02 34.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.437 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.08 -25.59 26.31 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.33 61.72 2.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' CB ' ' HZ2' ' A' ' 25' ' ' LYS . 1.5 ttmp? -80.14 -15.12 57.78 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.456 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -83.24 -14.72 52.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.871 -1.143 . . . . 0.0 109.172 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.61 153.7 33.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.231 -0.918 . . . . 0.0 109.702 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -82.66 165.79 19.7 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.6 m -133.58 162.86 30.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.983 -1.073 . . . . 0.0 110.094 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.72 -39.97 86.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.288 -0.882 . . . . 0.0 110.922 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HZ2' ' CE1' ' A' ' 18' ' ' HIS . 13.1 tmtt? -78.18 -32.02 49.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.606 -1.309 . . . . 0.0 110.449 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.49 -47.07 87.31 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.138 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.48 -31.82 70.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -65.26 -32.53 74.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.081 -1.012 . . . . 0.0 109.683 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 39' ' ' THR . 11.6 t70 -67.88 -40.03 83.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.358 -0.839 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.71 -40.08 84.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.18 -0.95 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.6 -43.87 58.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.741 -1.225 . . . . 0.0 111.622 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.31 -21.67 63.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.323 -0.861 . . . . 0.0 109.485 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 6.0 p -80.01 -52.33 7.96 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.24 -0.912 . . . . 0.0 111.456 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -113.65 -27.36 7.87 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.052 -1.03 . . . . 0.0 113.252 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.65 23.97 13.54 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 120.867 -1.145 . . . . 0.0 110.972 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.7 p -59.97 -37.98 81.18 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.037 -1.039 . . . . 0.0 110.26 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 t -68.9 -41.35 78.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.058 -1.026 . . . . 0.0 111.171 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.97 -70.01 0.55 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.686 -1.259 . . . . 0.0 110.404 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.1 mp -81.65 93.66 6.8 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 32.0 p-10 -58.03 92.46 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.4 p -106.35 -18.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.452 -0.78 . . . . 0.0 109.974 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.31 -57.74 2.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 111.643 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.94 -49.36 77.97 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.952 -177.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 53' ' ' ALA . 92.3 m-20 -95.28 78.4 3.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.345 -1.472 . . . . 0.0 109.665 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -19.67 19.33 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -67.76 -34.88 77.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.643 -0.661 . . . . 0.0 109.313 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -78.23 -29.05 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.339 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -65.46 -39.89 92.55 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.547 1.165 . . . . 0.0 108.176 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.93 -40.02 75.76 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.655 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.0 ppp? -83.04 -25.69 31.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.586 -1.321 . . . . 0.0 110.46 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -35.47 75.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.6 mp -80.58 -69.94 0.56 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.706 0.765 . . . . 0.0 110.332 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' GLY . 92.7 m-20 -69.17 44.62 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.749 -0.594 . . . . 0.0 110.224 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' LEU . 58.2 mm-40 -57.66 -18.13 18.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -80.04 -3.21 47.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.79 32.7 85.09 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.9 p-10 -90.05 -0.07 57.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.008 -1.29 . . . . 0.0 110.606 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.21 4.35 0.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -128.55 139.66 52.18 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.95 147.37 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 CA-C-O 121.57 0.7 . . . . 0.0 110.296 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 84.7 m-20 -81.77 8.23 10.62 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.564 -0.71 . . . . 0.0 111.354 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 18.0 t80 82.01 -60.63 0.19 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.799 -0.563 . . . . 0.0 111.235 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.96 -36.89 78.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.036 -1.04 . . . . 0.0 110.179 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -60.03 -39.91 87.5 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.905 -1.122 . . . . 0.0 108.592 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.98 -40.11 79.01 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 112.772 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 p -60.02 -40.14 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.204 -1.56 . . . . 0.0 110.201 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.02 -39.69 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 110.388 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.93 -56.8 17.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.445 -0.784 . . . . 0.0 112.483 -176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 m -79.94 -20.46 12.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.815 . . . . 0.0 111.159 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.45 -46.78 72.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.828 -1.17 . . . . 0.0 109.363 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.92 -40.04 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.018 -1.051 . . . . 0.0 110.943 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.99 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.998 -1.064 . . . . 0.0 110.9 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.9 m -61.47 -40.09 93.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.396 -0.815 . . . . 0.0 110.924 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -42.96 91.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.411 -0.806 . . . . 0.0 109.553 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.34 85.18 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.563 -0.711 . . . . 0.0 109.883 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.79 . . . . 0.0 110.185 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.77 -38.62 78.89 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.12 -20.67 55.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.903 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.03 -42.22 93.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.046 -1.034 . . . . 0.0 110.332 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.127 -0.983 . . . . 0.0 109.659 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.551 ' O ' ' N ' ' B' ' 6' ' ' THR . 70.7 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -60.11 -49.28 78.29 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.91 -40.06 75.8 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.33 -39.91 89.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.551 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.7 m -66.6 -21.18 66.13 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.47 78.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.683 -0.636 . . . . 0.0 110.639 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 8' ' ' MET . 1.2 mpt? -81.83 -39.27 24.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.688 -1.258 . . . . 0.0 110.426 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 78.4 mm-40 -69.48 -28.32 65.98 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.942 -1.099 . . . . 0.0 110.95 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 6' ' ' THR . 9.6 t -79.96 -47.61 14.71 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.499 -0.751 . . . . 0.0 111.923 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' B' ' 10' ' ' THR . 2.8 pp -68.56 -27.76 66.36 Favored 'General case' 0 C--O 1.201 -1.447 0 C-N-CA 117.962 -1.495 . . . . 0.0 108.445 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' B' ' 8' ' ' MET . 5.6 mm -70.46 -39.68 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.645 -0.659 . . . . 0.0 110.28 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 12.9 m120 -67.5 -39.98 85.19 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.969 0.89 . . . . 0.0 109.705 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -28.47 21.4 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -33.55 74.32 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -89.62 -10.2 46.86 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.51 59.81 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.137 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.418 ' NE2' ' HZ2' ' B' ' 31' ' ' LYS . 54.7 t-80 -101.07 -38.63 8.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.553 -0.717 . . . . 0.0 111.272 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.3 t -60.01 -36.03 76.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.006 -1.059 . . . . 0.0 110.389 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.71 6.72 77.31 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.4 -25.31 29.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.505 -0.997 . . . . 0.0 109.64 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.75 -7.0 34.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.292 -0.88 . . . . 0.0 110.452 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.01 -25.47 26.76 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.3 61.59 2.79 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.01 -15.11 57.89 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -83.22 -14.74 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.875 -1.14 . . . . 0.0 109.123 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.76 153.55 33.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.48 165.77 19.91 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.5 m -133.23 163.56 29.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.844 -1.16 . . . . 0.0 110.019 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.428 -0.795 . . . . 0.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.418 ' HZ2' ' NE2' ' B' ' 18' ' ' HIS . 13.0 tmtt? -78.23 -32.37 49.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.707 -1.246 . . . . 0.0 110.467 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.22 -47.1 87.63 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.356 -0.84 . . . . 0.0 110.151 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.59 -31.77 70.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 0.0 110.396 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -65.23 -32.35 73.98 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.016 -1.053 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.429 ' O ' ' CG2' ' B' ' 39' ' ' THR . 11.9 t70 -68.59 -38.71 80.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.345 -0.847 . . . . 0.0 110.317 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.59 -40.0 80.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 111.22 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -74.05 -43.67 56.97 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 111.507 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.19 -21.91 63.93 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.345 -0.847 . . . . 0.0 109.374 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.91 -52.32 8.02 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.537 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.49 -27.32 7.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.087 -1.008 . . . . 0.0 113.154 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.7 24.04 13.45 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 120.822 -1.173 . . . . 0.0 111.019 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.604 ' HG ' ' N ' ' B' ' 43' ' ' SER . 55.8 p -60.05 -38.07 81.69 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.045 -1.035 . . . . 0.0 110.154 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.604 ' N ' ' HG ' ' B' ' 42' ' ' SER . 48.3 t -68.45 -41.69 79.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.148 -0.97 . . . . 0.0 111.23 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -79.98 -69.99 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 110.442 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.2 mp -81.56 93.6 6.73 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 31.8 p-10 -58.02 92.73 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 109.594 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.4 p -106.59 -18.07 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.467 -0.771 . . . . 0.0 109.862 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.21 -57.86 2.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.905 -1.122 . . . . 0.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.422 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.95 -49.27 78.34 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.043 -177.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.0 m-20 -95.38 78.05 3.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.351 -1.468 . . . . 0.0 109.779 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.77 17.35 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -74.87 -21.54 59.18 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -67.4 -35.4 79.23 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.2 -28.57 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.469 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.57 -39.91 92.18 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.573 1.178 . . . . 0.0 108.161 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.14 -39.96 75.09 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.519 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -39.98 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.914 -0.491 . . . . 0.0 110.454 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.0 ppp? -82.96 -25.73 32.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.548 -1.345 . . . . 0.0 110.408 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.93 -40.62 89.52 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -35.76 75.72 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 2.3 mp -80.46 -70.1 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.715 0.769 . . . . 0.0 110.207 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' B' ' 65' ' ' GLY . 92.4 m-20 -68.74 44.46 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.751 -0.593 . . . . 0.0 110.342 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' B' ' 61' ' ' LEU . 58.4 mm-40 -57.62 -18.23 18.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.97 -3.57 48.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.16 32.77 85.01 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.9 p-10 -90.15 -0.43 57.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.082 -1.246 . . . . 0.0 110.469 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.44 4.3 0.35 Allowed Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.3 mt-10 -128.41 139.52 52.32 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.94 147.31 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.634 0.731 . . . . 0.0 110.169 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 84.5 m-20 -81.81 8.19 10.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.73 . . . . 0.0 111.386 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' B' ' 70' ' ' ASP . 18.0 t80 82.16 -60.49 0.18 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.787 -0.571 . . . . 0.0 111.207 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.01 -37.06 78.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 110.115 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.912 -1.117 . . . . 0.0 108.562 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -68.99 -40.1 78.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.561 -0.712 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -60.05 -40.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.097 -1.627 . . . . 0.0 110.136 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.99 -39.92 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.007 -1.058 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.9 -56.81 17.1 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.404 -0.81 . . . . 0.0 112.619 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 7.4 m -79.98 -20.38 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 111.057 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 -46.63 72.1 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.816 -1.177 . . . . 0.0 109.31 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.017 . . . . 0.0 110.961 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.02 -49.98 75.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.017 -1.052 . . . . 0.0 110.799 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -61.59 -39.97 93.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.329 -0.857 . . . . 0.0 110.805 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -42.89 91.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 O-C-N 121.379 -0.826 . . . . 0.0 109.567 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.21 85.06 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -59.94 -39.94 87.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.598 -0.689 . . . . 0.0 110.304 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.87 -38.77 79.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.845 -1.159 . . . . 0.0 108.476 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.0 -20.73 55.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.11 -42.16 94.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.0 110.19 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.139 -0.975 . . . . 0.0 109.728 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 121.411 0.624 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.783 . . . . 0.0 109.542 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -71.09 -39.47 72.11 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.73 -40.06 96.02 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.604 0.716 . . . . 0.0 109.077 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.4 m -64.53 -21.94 66.83 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.07 75.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.49 -0.756 . . . . 0.0 110.257 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 mtm -79.72 -34.81 39.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.338 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.74 -37.91 76.65 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.524 -0.735 . . . . 0.0 110.547 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 5.5 t -73.05 -53.15 11.83 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.576 -0.703 . . . . 0.0 111.871 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.3 -31.08 72.14 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 120.521 -1.362 . . . . 0.0 109.46 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.92 -31.97 49.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 120.526 -1.359 . . . . 0.0 109.519 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -70.98 -44.66 65.5 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.531 -0.731 . . . . 0.0 110.691 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 m -70.96 -28.61 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.43 -41.43 96.58 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.734 0.778 . . . . 0.0 109.095 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -89.54 -9.17 50.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.43 -40.01 64.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.213 -0.929 . . . . 0.0 108.729 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.666 ' ND1' ' H ' ' A' ' 19' ' ' SER . 5.9 p-80 -98.2 -43.12 7.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.666 ' H ' ' ND1' ' A' ' 18' ' ' HIS . 72.6 m -55.34 -27.88 50.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 108.967 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.38 85.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -68.53 -40.09 80.88 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -109.95 93.25 4.4 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.04 -12.68 67.74 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -60.13 -48.92 79.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.964 -1.315 . . . . 0.0 108.041 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 127.84 33.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 61.8 t80 -94.37 48.58 1.24 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.97 165.94 26.76 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 29' ' ' SER . 42.3 tp -80.87 167.12 20.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.753 -1.217 . . . . 0.0 107.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.2 t -136.95 165.33 26.24 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.971 -1.081 . . . . 0.0 110.329 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -59.28 -39.98 84.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.711 . . . . 0.0 111.183 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -74.5 -32.78 62.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.757 -1.214 . . . . 0.0 110.493 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 41.2 mt-10 -60.84 -53.8 52.88 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.821 0.819 . . . . 0.0 110.558 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.93 -33.12 74.67 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.143 -0.973 . . . . 0.0 110.807 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.6 -39.9 95.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.921 -1.112 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' O ' ' CG2' ' A' ' 39' ' ' THR . 26.8 t0 -61.7 -41.15 97.2 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 110.399 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 18' ' ' HIS . 78.4 mt -63.03 -40.0 96.41 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 112.079 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.4 -40.89 42.06 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.813 -1.179 . . . . 0.0 111.229 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.74 -19.99 61.28 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 109.29 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.45 ' HG1' ' H ' ' A' ' 40' ' ' GLU . 3.2 p -77.56 -58.47 3.25 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.289 -0.882 . . . . 0.0 111.136 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 12.3 mt-10 -110.67 -28.9 8.24 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.04 -1.037 . . . . 0.0 112.342 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.28 29.42 7.69 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 120.802 -1.186 . . . . 0.0 110.801 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.453 ' OG ' ' NE2' ' A' ' 48' ' ' GLN . 8.5 t -59.94 -46.96 87.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.931 -1.105 . . . . 0.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.0 t -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 111.47 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.724 -1.235 . . . . 0.0 110.309 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.34 95.39 7.6 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.03 140.07 57.04 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.469 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.405 ' CG1' ' H ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -162.37 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.0 -1.063 . . . . 0.0 109.991 -178.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 5.7 pt20 -43.53 -40.46 3.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.666 -0.646 . . . . 0.0 110.557 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.14 -42.67 65.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.88 -1.137 . . . . 0.0 109.348 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -103.52 87.13 2.77 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.072 -1.017 . . . . 0.0 108.855 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.263 -0.898 . . . . 0.0 108.973 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.6 -23.04 61.65 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.428 -1.42 . . . . 0.0 107.79 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.17 85.2 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.09 -29.53 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.359 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -66.28 -38.59 88.16 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 122.426 1.108 . . . . 0.0 108.545 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -39.01 83.48 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.769 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 pt -80.06 -29.06 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.079 -1.013 . . . . 0.0 111.444 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.494 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -80.5 -27.07 37.83 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.474 -1.391 . . . . 0.0 108.462 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' SD ' ' A' ' 58' ' ' MET . 29.3 ttmt -65.72 -46.76 77.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.56 -0.713 . . . . 0.0 109.709 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -60.06 -40.04 88.11 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -74.15 -58.51 3.25 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.651 0.739 . . . . 0.0 109.315 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 94.7 m-20 -82.46 25.4 0.63 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.0 pt-20 -50.64 -19.02 0.8 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.225 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -74.49 4.8 5.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 110.776 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.63 43.09 19.89 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 68' ' ' GLU . 18.7 p-10 -141.68 95.97 2.9 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.82 26.34 0.01 OUTLIER Glycine 0 N--CA 1.507 3.385 0 O-C-N 121.879 -0.513 . . . . 0.0 111.998 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 66' ' ' ASP . 95.9 mt-10 -128.81 128.31 43.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.8 154.21 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.19 -0.944 . . . . 0.0 110.939 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 39.5 t0 -95.77 16.26 17.97 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.356 -0.84 . . . . 0.0 112.316 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 2.4 m-85 81.8 -63.94 0.15 Allowed 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.229 -0.92 . . . . 0.0 112.112 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.07 -39.42 85.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.943 -1.098 . . . . 0.0 110.334 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.08 -40.06 88.24 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.678 -1.264 . . . . 0.0 109.523 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.44 -50.84 49.68 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.0 -38.58 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 O-C-N 120.817 -1.177 . . . . 0.0 111.254 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.33 -40.01 87.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.56 -1.337 . . . . 0.0 111.196 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.24 -58.48 4.35 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.002 -1.061 . . . . 0.0 112.574 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -23.81 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.379 -0.826 . . . . 0.0 111.019 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.46 72.58 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.003 -1.06 . . . . 0.0 110.377 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.3 81.82 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.213 -0.93 . . . . 0.0 111.168 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.45 -39.84 85.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.666 -1.271 . . . . 0.0 110.473 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.512 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 66.9 p -69.83 -46.59 65.29 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.917 -1.114 . . . . 0.0 111.966 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -40.0 86.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 120.521 -1.362 . . . . 0.0 109.098 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.95 92.75 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.684 -0.635 . . . . 0.0 110.914 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 82' ' ' THR . 14.9 p -66.04 -40.09 90.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.913 -1.117 . . . . 0.0 110.346 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.9 t-20 -59.96 -40.11 87.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.875 -1.141 . . . . 0.0 109.472 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.74 -27.27 63.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.375 -0.828 . . . . 0.0 109.397 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.98 -44.26 94.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.393 -0.817 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.211 179.416 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.443 ' O ' ' N ' ' B' ' 6' ' ' THR . 23.7 m . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 121.498 0.666 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 10' ' ' THR . 70.5 mt-10 -59.98 -50.05 75.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.401 -0.812 . . . . 0.0 109.509 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.474 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -71.0 -39.5 72.38 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.76 -40.05 96.07 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.443 ' N ' ' O ' ' B' ' 2' ' ' SER . 16.4 m -64.54 -21.89 66.81 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.99 76.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.545 -0.722 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -80.41 -34.64 36.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.028 -1.045 . . . . 0.0 110.367 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.55 -38.2 77.35 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.606 0.717 . . . . 0.0 110.432 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t -73.07 -53.39 11.22 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.572 -0.705 . . . . 0.0 111.81 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -62.98 -31.08 72.13 Favored 'General case' 0 C--O 1.198 -1.609 0 O-C-N 120.428 -1.42 . . . . 0.0 109.436 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.0 -31.7 48.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 120.452 -1.405 . . . . 0.0 109.663 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -71.58 -44.25 64.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.0 110.807 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -70.61 -29.09 36.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.731 0.777 . . . . 0.0 109.138 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.74 -8.59 51.91 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.97 63.74 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.3 -0.875 . . . . 0.0 108.742 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.662 ' ND1' ' H ' ' B' ' 19' ' ' SER . 5.9 p-80 -98.31 -43.05 7.1 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.212 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.662 ' H ' ' ND1' ' B' ' 18' ' ' HIS . 73.8 m -55.38 -27.85 50.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.366 -0.834 . . . . 0.0 109.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.34 85.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -68.65 -40.01 80.44 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -109.94 93.34 4.45 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.98 -12.87 67.54 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.01 -49.11 78.96 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.943 -1.328 . . . . 0.0 108.113 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 127.57 33.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.121 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 62.8 t80 -94.0 47.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.87 165.28 27.93 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' B' ' 29' ' ' SER . 42.6 tp -80.26 167.01 20.82 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.724 -1.235 . . . . 0.0 108.016 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 19.3 t -136.22 166.42 23.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.298 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.0 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.784 -0.573 . . . . 0.0 111.334 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -74.61 -32.95 62.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.909 -1.119 . . . . 0.0 110.565 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 29' ' ' SER . 41.6 mt-10 -60.69 -54.0 50.65 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.815 0.817 . . . . 0.0 110.524 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -33.66 75.43 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 110.856 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.11 -40.04 94.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.801 -1.187 . . . . 0.0 110.44 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.432 ' O ' ' CG2' ' B' ' 39' ' ' THR . 26.4 t0 -61.97 -40.02 94.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.641 0.734 . . . . 0.0 110.669 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' B' ' 18' ' ' HIS . 76.5 mt -64.04 -40.03 95.4 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.994 -177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.32 -41.01 42.22 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.832 -1.168 . . . . 0.0 111.252 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.51 -20.01 61.43 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.312 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 3.1 p -77.47 -58.75 3.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.264 -0.898 . . . . 0.0 111.123 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.6 mt-10 -110.56 -28.86 8.3 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.953 -1.092 . . . . 0.0 112.291 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -110.1 29.32 7.76 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.921 -1.112 . . . . 0.0 110.859 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.572 ' HG ' ' NE2' ' B' ' 48' ' ' GLN . 8.6 t -59.99 -46.85 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.897 -1.127 . . . . 0.0 110.578 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.1 t -64.71 -40.01 94.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.247 -0.908 . . . . 0.0 111.479 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.858 -1.151 . . . . 0.0 110.326 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.38 95.34 7.61 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.0 140.0 57.06 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.473 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -162.35 -68.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.018 . . . . 0.0 110.074 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.572 ' NE2' ' HG ' ' B' ' 42' ' ' SER . 5.0 pt20 -43.95 -40.48 4.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.548 -0.72 . . . . 0.0 110.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -71.95 -42.21 66.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.857 -1.152 . . . . 0.0 109.407 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -103.77 86.68 2.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.191 -0.943 . . . . 0.0 108.947 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.2 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.961 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -71.41 -23.48 61.88 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.462 -1.399 . . . . 0.0 107.813 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.44 -29.42 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.351 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -66.53 -38.35 86.98 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 122.52 1.152 . . . . 0.0 108.447 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -40.0 84.62 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.656 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pt -79.82 -28.39 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.883 -1.136 . . . . 0.0 111.538 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -80.59 -26.99 37.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.405 -1.435 . . . . 0.0 108.43 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.446 ' N ' ' SD ' ' B' ' 58' ' ' MET . 28.6 ttmt -66.07 -46.36 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.701 . . . . 0.0 109.608 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.2 -40.01 88.55 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -74.25 -58.4 3.32 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.636 0.731 . . . . 0.0 109.277 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 94.7 m-20 -82.59 25.48 0.64 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.554 -0.717 . . . . 0.0 109.118 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' B' ' 61' ' ' LEU . 17.7 pt-20 -50.88 -18.36 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.278 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' B' ' 62' ' ' ASP . 23.4 t-20 -74.91 4.66 6.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.425 -0.797 . . . . 0.0 110.668 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.97 19.61 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.6 p-10 -141.71 96.06 2.91 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.91 26.45 0.01 OUTLIER Glycine 0 N--CA 1.507 3.392 0 O-C-N 121.894 -0.504 . . . . 0.0 112.003 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.659 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.9 mt-10 -128.92 128.01 42.92 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.58 154.4 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.247 -0.908 . . . . 0.0 110.977 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 38.7 t0 -95.81 16.11 18.45 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.299 -0.876 . . . . 0.0 112.258 -177.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 2.4 m-85 81.99 -64.05 0.14 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.118 -0.989 . . . . 0.0 112.016 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.95 -39.7 86.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.897 -1.127 . . . . 0.0 110.264 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -59.96 -40.06 87.73 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.707 -1.245 . . . . 0.0 109.534 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -68.49 -50.87 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.95 -39.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 120.795 -1.191 . . . . 0.0 111.073 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.3 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 120.796 -1.19 . . . . 0.0 111.108 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.77 -58.49 4.13 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.891 -1.131 . . . . 0.0 112.588 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -23.61 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.442 -0.786 . . . . 0.0 111.041 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.1 -43.2 71.55 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.116 -0.99 . . . . 0.0 110.276 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.127 -0.983 . . . . 0.0 111.056 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.842 -1.161 . . . . 0.0 110.657 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.517 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 78.6 p -69.64 -47.17 64.32 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.887 -1.133 . . . . 0.0 111.831 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.444 ' H ' ' HG1' ' B' ' 82' ' ' THR . 9.4 p -62.12 -39.98 85.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.413 -1.43 . . . . 0.0 109.232 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.1 93.42 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.541 -0.724 . . . . 0.0 110.847 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' B' ' 82' ' ' THR . 14.7 p -65.81 -40.08 91.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.86 -1.15 . . . . 0.0 110.336 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.505 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 28.9 t-20 -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.069 -1.019 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.72 -27.39 63.94 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.348 -0.845 . . . . 0.0 109.416 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.91 -44.34 94.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.387 -0.821 . . . . 0.0 109.817 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 109.21 179.436 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.497 ' O ' ' OG1' ' B' ' 10' ' ' THR . 34.2 tt0 -59.65 -50.15 74.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.527 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -72.32 -39.73 67.99 Favored 'General case' 0 C--N 1.285 -2.22 0 O-C-N 120.654 -1.278 . . . . 0.0 108.508 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.17 -40.19 89.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 m -60.75 -22.95 64.58 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.12 76.42 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.8 mtp -74.57 -37.59 62.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.78 -1.2 . . . . 0.0 109.573 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 94.7 mt-10 -68.17 -38.99 82.68 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.71 0.767 . . . . 0.0 111.374 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 6.8 t -73.71 -51.76 15.5 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.3 -25.75 64.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.135 -1.603 . . . . 0.0 108.833 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.63 -28.78 22.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.045 -1.035 . . . . 0.0 108.999 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 96.2 m-20 -73.05 -40.42 65.12 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.735 0.779 . . . . 0.0 109.402 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -70.42 -34.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.613 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 37.6 t80 -60.33 -42.13 94.99 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -85.58 -9.26 57.59 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.71 -38.08 48.1 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.939 -1.101 . . . . 0.0 109.917 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -103.53 -37.7 7.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.279 -0.888 . . . . 0.0 110.858 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -56.45 -28.45 59.61 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.175 -0.953 . . . . 0.0 110.406 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.43 0.06 61.4 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.55 -31.35 63.59 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.534 -0.98 . . . . 0.0 109.543 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -95.03 -5.91 43.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.0 111.632 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.89 -11.38 70.73 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' TYR . 99.6 m-20 -84.43 25.12 0.91 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 23' ' ' GLY . 25.3 ttmt -42.88 -13.21 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.206 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' N ' ' O ' ' A' ' 24' ' ' ASP . 94.4 m-85 -90.1 -15.55 31.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.607 -1.308 . . . . 0.0 109.416 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HZ3' ' C ' ' A' ' 69' ' ' VAL . 40.0 tttm -148.68 150.2 32.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.017 -1.052 . . . . 0.0 109.943 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.4 165.68 19.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.08 -1.013 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.464 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 9.9 p -136.49 164.5 28.03 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.732 -1.23 . . . . 0.0 110.504 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.96 -39.95 87.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.512 -0.742 . . . . 0.0 111.325 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 10.5 tmtt? -77.0 -32.13 56.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.647 -1.283 . . . . 0.0 110.421 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' H ' ' HG ' ' A' ' 29' ' ' SER . 90.1 mt-10 -61.73 -49.99 74.21 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.768 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.66 -33.81 71.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 111.451 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 50.0 tttm -60.37 -37.35 80.47 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 120.805 -1.185 . . . . 0.0 109.078 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.513 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 70.1 m-20 -66.41 -39.82 89.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 110.116 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.2 mt -61.45 -40.18 93.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.102 -0.999 . . . . 0.0 110.571 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 42' ' ' SER . 21.6 mt -73.51 -40.1 64.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.969 -1.082 . . . . 0.0 110.13 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 28.0 mt-30 -69.92 -22.3 63.21 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.561 0.696 . . . . 0.0 109.697 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.6 p -90.45 -53.16 4.56 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 112.788 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.1 mt-10 -109.96 -32.39 7.05 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.73 -1.231 . . . . 0.0 112.709 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -111.5 26.51 10.58 Favored 'General case' 0 N--CA 1.516 2.825 0 O-C-N 120.898 -1.126 . . . . 0.0 109.808 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' LEU . 55.1 p -60.39 -40.08 89.64 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.167 -0.958 . . . . 0.0 111.102 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.22 -40.56 86.43 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.913 -1.117 . . . . 0.0 111.782 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -76.45 -68.62 0.57 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.681 -1.262 . . . . 0.0 109.842 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.9 mp -81.02 98.52 8.0 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.544 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 82.4 m-20 -62.95 80.9 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.999 -0.68 . . . . 0.0 110.083 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -94.04 -15.01 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.62 -0.675 . . . . 0.0 109.591 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -69.42 0.59 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 112.248 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HZ2' ' CG ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -56.18 -50.24 71.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 110.474 -176.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.7 m-20 -93.45 77.17 4.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.258 -1.526 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -21.3 21.29 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 63.4 t0 -70.15 -26.88 64.13 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.38 -32.54 73.36 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -30.43 22.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.634 -0.666 . . . . 0.0 110.022 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -70.25 -39.5 74.98 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 109.012 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HZ3' ' HA ' ' A' ' 53' ' ' ALA . 10.1 mtmp? -69.69 -39.89 76.67 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.175 0.988 . . . . 0.0 109.902 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -38.95 84.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ASP . 91.0 mmm -71.51 -30.41 65.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.153 -0.967 . . . . 0.0 109.689 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -55.32 -40.64 71.38 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.63 -34.53 78.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.8 mp -81.71 -70.04 0.57 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.508 0.67 . . . . 0.0 110.564 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' MET . 91.0 m-20 -74.49 34.87 0.1 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.528 -0.732 . . . . 0.0 109.624 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' LEU . 89.4 tt0 -54.41 -21.31 9.36 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.09 -3.36 58.77 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.476 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.37 32.9 64.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.8 p-10 -91.97 -3.24 56.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.097 -1.237 . . . . 0.0 110.199 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.09 8.63 0.26 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -135.48 157.54 46.63 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.23 -1.159 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' C ' ' HZ3' ' A' ' 27' ' ' LYS . 3.5 t -126.13 157.24 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 121.87 0.843 . . . . 0.0 111.636 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.48 20.28 5.46 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 23.5 t80 62.31 -40.94 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 122.134 -0.354 . . . . 0.0 111.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.04 -29.91 67.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.462 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 33.8 mt-10 -68.54 -40.67 80.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.764 -1.21 . . . . 0.0 108.966 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.22 -43.6 81.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.839 -0.538 . . . . 0.0 112.233 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.92 -39.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.553 -1.342 . . . . 0.0 110.11 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.8 -39.99 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.734 -1.229 . . . . 0.0 110.787 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.68 -57.46 10.94 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.086 -1.009 . . . . 0.0 112.256 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -74.31 -21.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.662 -0.649 . . . . 0.0 110.513 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.15 -53.08 22.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.826 -1.171 . . . . 0.0 109.888 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.81 -40.47 75.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.946 -1.096 . . . . 0.0 111.214 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.64 -46.95 87.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.842 -1.161 . . . . 0.0 109.986 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.3 m -62.11 -40.04 94.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.412 -0.805 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.19 -40.29 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.453 -0.78 . . . . 0.0 109.453 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.82 87.1 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.617 -0.677 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.13 -42.09 94.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.247 -0.908 . . . . 0.0 110.9 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -61.56 -40.2 93.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 110.107 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.259 -0.901 . . . . 0.0 108.79 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.5 -40.23 90.63 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.498 1.943 0 O-C-N 120.938 -1.101 . . . . 0.0 110.579 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . 33.7 tt0 -59.9 -49.89 75.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 110.197 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.22 -40.04 68.08 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.641 -1.287 . . . . 0.0 108.441 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.13 -40.03 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.1 m -60.79 -23.07 64.74 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.23 76.29 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.742 -0.598 . . . . 0.0 110.916 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -73.48 -39.33 64.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.676 -1.265 . . . . 0.0 109.486 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 92.1 mt-10 -66.56 -39.57 88.57 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.626 0.727 . . . . 0.0 111.754 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.497 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 6.9 t -73.61 -51.02 18.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -175.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.09 -25.55 63.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.179 -1.576 . . . . 0.0 108.699 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.84 -28.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.062 -1.024 . . . . 0.0 108.961 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.3 m-20 -73.39 -39.89 64.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.845 . . . . 0.0 109.586 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -70.6 -34.16 56.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.617 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.8 t80 -59.99 -42.29 93.89 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -85.65 -8.91 57.95 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.19 47.65 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.953 -1.092 . . . . 0.0 109.762 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -103.42 -37.96 7.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.299 -0.875 . . . . 0.0 110.85 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -56.33 -28.57 59.38 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.189 -0.944 . . . . 0.0 110.43 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 0.38 61.17 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -73.59 -31.13 63.41 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.547 -0.972 . . . . 0.0 109.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -95.27 -5.83 42.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 111.626 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 89.91 -11.83 69.36 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' B' ' 26' ' ' TYR . 98.5 m-20 -84.41 25.72 0.85 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' B' ' 23' ' ' GLY . 25.8 ttmt -43.1 -13.5 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.116 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.545 ' N ' ' O ' ' B' ' 24' ' ' ASP . 94.2 m-85 -89.87 -15.61 31.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.594 -1.316 . . . . 0.0 109.352 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.53 ' HZ3' ' C ' ' B' ' 69' ' ' VAL . 39.8 tttm -148.7 150.08 32.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.997 -1.064 . . . . 0.0 109.942 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.67 165.71 18.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.117 -0.989 . . . . 0.0 108.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.473 ' HG ' ' H ' ' B' ' 32' ' ' GLU . 12.1 p -136.18 165.14 26.43 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.715 -1.241 . . . . 0.0 110.616 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -60.06 -40.13 88.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.459 -0.776 . . . . 0.0 111.38 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.482 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 11.1 tmtt? -77.45 -31.49 53.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.58 -1.325 . . . . 0.0 110.441 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.473 ' H ' ' HG ' ' B' ' 29' ' ' SER . 89.5 mt-10 -62.19 -50.0 73.56 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.616 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.28 -33.98 72.22 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.639 -0.663 . . . . 0.0 111.451 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.501 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.6 tttm -60.28 -37.23 79.82 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.824 -1.172 . . . . 0.0 109.202 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.482 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 70.1 m-20 -66.55 -40.07 88.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.133 -0.979 . . . . 0.0 110.13 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.39 -40.22 93.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.193 -0.942 . . . . 0.0 110.573 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.7 mt -73.16 -40.31 64.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.911 -1.118 . . . . 0.0 110.331 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.501 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 28.1 mt-30 -70.29 -21.43 62.95 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.377 0.608 . . . . 0.0 109.621 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 p -90.99 -52.84 4.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.284 -0.885 . . . . 0.0 112.7 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.7 mt-10 -109.98 -32.7 6.94 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.897 -1.127 . . . . 0.0 112.723 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.35 26.48 10.63 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.982 -1.074 . . . . 0.0 109.907 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 37' ' ' LEU . 59.7 p -60.97 -39.92 91.39 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.131 -0.981 . . . . 0.0 111.22 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 95.2 p -67.16 -40.04 86.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.968 -1.082 . . . . 0.0 111.716 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.84 -69.02 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.625 -1.297 . . . . 0.0 109.907 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 47' ' ' VAL . 11.1 mp -80.7 98.59 7.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.403 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 82.1 m-20 -62.65 80.44 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.608 0.718 . . . . 0.0 110.144 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -93.39 -15.1 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.496 -0.753 . . . . 0.0 109.71 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -69.15 0.61 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.715 -1.241 . . . . 0.0 112.369 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.429 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.23 -50.7 70.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.109 -0.994 . . . . 0.0 110.468 -176.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 53' ' ' ALA . 84.3 m-20 -93.15 77.77 4.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.225 -1.547 . . . . 0.0 109.289 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.98 -20.84 26.07 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 64.4 t0 -70.07 -26.13 63.86 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.76 -33.16 74.58 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -30.42 23.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.885 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -70.7 -38.98 73.73 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.942 -1.099 . . . . 0.0 109.156 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.068 0.937 . . . . 0.0 110.068 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -38.93 84.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.488 ' O ' ' N ' ' B' ' 62' ' ' ASP . 89.7 mmm -71.84 -30.02 65.02 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 109.726 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -55.77 -40.36 72.52 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.22 -34.7 78.69 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -81.65 -70.12 0.56 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.543 0.687 . . . . 0.0 110.705 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 58' ' ' MET . 91.7 m-20 -74.62 35.96 0.1 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.483 -0.76 . . . . 0.0 109.501 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' B' ' 61' ' ' LEU . 89.2 tt0 -55.09 -21.78 13.95 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.76 -4.46 59.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.414 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.51 63.04 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.8 p-10 -92.02 -3.58 55.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.172 -1.193 . . . . 0.0 109.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.65 9.57 0.29 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.7 mt-10 -135.44 157.12 47.68 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 121.317 -1.108 . . . . 0.0 108.181 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.53 ' C ' ' HZ3' ' B' ' 27' ' ' LYS . 3.3 t -125.92 157.46 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-O 121.936 0.874 . . . . 0.0 111.657 -177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.2 m-20 -91.71 20.0 5.93 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 22.8 t80 62.3 -40.88 0.16 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 122.233 -0.292 . . . . 0.0 111.255 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 0.0 OUTLIER -70.13 -29.96 67.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.376 -1.453 . . . . 0.0 109.299 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 32.5 mt-10 -68.32 -40.66 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.689 -1.257 . . . . 0.0 108.948 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.43 -43.25 81.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.779 -0.576 . . . . 0.0 112.542 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -60.07 -39.93 81.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 120.515 -1.366 . . . . 0.0 109.845 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t -69.67 -40.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.864 -1.147 . . . . 0.0 110.765 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.46 -57.63 10.55 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.108 -0.995 . . . . 0.0 112.243 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -74.78 -20.58 16.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.617 -0.677 . . . . 0.0 110.527 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.04 22.51 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.07 76.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.053 -1.029 . . . . 0.0 111.218 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.65 -47.54 85.79 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.935 -1.103 . . . . 0.0 110.176 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.1 m -61.9 -40.1 94.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.399 -0.813 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.17 -40.09 82.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.871 0.843 . . . . 0.0 109.622 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.67 87.06 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.411 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.36 -41.06 92.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.364 -0.835 . . . . 0.0 110.703 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.931 -1.106 . . . . 0.0 110.069 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.75 -40.07 91.1 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.58 -40.3 91.21 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.017 -1.052 . . . . 0.0 110.653 -178.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 6' ' ' THR . 58.1 m . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 53.4 mt-10 -60.01 -49.93 75.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 109.396 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.551 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.0 tt -71.94 -39.96 69.07 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.77 -39.96 95.8 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.1 m -62.54 -22.48 66.36 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.19 80.56 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -80.97 -33.9 33.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.01 -1.056 . . . . 0.0 110.346 -179.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -71.13 -30.27 66.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 110.146 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -80.09 -51.69 8.71 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.12 -0.987 . . . . 0.0 111.499 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.82 -28.49 70.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.358 -1.464 . . . . 0.0 109.174 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.49 -34.43 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.543 -1.348 . . . . 0.0 110.206 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -70.45 -44.91 66.85 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.271 -0.893 . . . . 0.0 110.852 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -69.41 -32.86 54.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 64.4 t80 -62.04 -39.87 93.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.757 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -88.91 -10.09 49.13 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.0 55.39 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -102.63 -27.89 12.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.513 -0.742 . . . . 0.0 111.246 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 58.8 m -60.82 -40.07 91.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.966 -1.084 . . . . 0.0 111.459 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.52 6.29 70.92 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.62 -29.79 63.78 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.224 -1.162 . . . . 0.0 108.461 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -92.79 -2.08 56.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.651 -0.656 . . . . 0.0 110.759 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.49 -7.55 78.59 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 27' ' ' LYS . 66.8 m-20 -91.02 38.28 0.95 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.397 -1.06 . . . . 0.0 108.533 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.62 -16.92 18.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.602 -0.686 . . . . 0.0 110.677 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -66.99 -19.48 65.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.618 -1.301 . . . . 0.0 109.206 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 19.5 pttm -163.19 169.82 18.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.218 -0.926 . . . . 0.0 109.733 177.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -78.87 161.41 26.76 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 m -132.38 163.25 29.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.91 -1.119 . . . . 0.0 109.922 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 3.7 tmtt? -59.53 -40.5 87.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.543 -0.723 . . . . 0.0 110.789 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.65 -31.42 61.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.951 -1.093 . . . . 0.0 110.168 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.79 -44.95 79.94 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.492 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.97 -30.02 67.28 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.025 -1.047 . . . . 0.0 109.627 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 48.3 tptt -59.79 -40.13 87.24 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.638 -0.664 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' CG2' ' A' ' 39' ' ' THR . 94.2 m-20 -68.91 -40.05 79.32 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.733 -0.605 . . . . 0.0 111.669 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.8 -40.51 83.87 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.222 -0.924 . . . . 0.0 111.869 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.93 -43.29 55.02 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.604 -1.31 . . . . 0.0 110.746 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.437 HE21 ' C ' ' A' ' 34' ' ' LYS . 16.6 pt20 -68.95 -25.17 64.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.359 -0.838 . . . . 0.0 109.57 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 2.9 p -73.02 -55.92 5.84 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 121.021 -1.049 . . . . 0.0 111.348 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.3 mt-10 -113.55 -24.62 9.15 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.991 -1.068 . . . . 0.0 113.259 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -110.88 21.62 16.27 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.688 -1.258 . . . . 0.0 111.329 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' A' ' 43' ' ' SER . 7.6 p -59.25 -49.37 78.1 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.713 -1.242 . . . . 0.0 110.761 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.528 ' H ' ' HG ' ' A' ' 42' ' ' SER . 68.5 m -61.79 -40.23 94.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.147 -0.971 . . . . 0.0 111.661 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -79.86 -69.97 0.55 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.682 -1.261 . . . . 0.0 109.998 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -81.54 96.58 7.49 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.11 138.81 54.02 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 118.561 -1.256 . . . . 0.0 107.628 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 1.5 p -161.7 -52.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.026 -1.046 . . . . 0.0 110.441 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.04 -42.95 95.53 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.663 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -72.98 -39.44 66.11 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.899 -1.125 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -101.46 79.29 1.95 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.133 -0.979 . . . . 0.0 109.483 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.2 38.25 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 108.467 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 18.5 p-10 -72.8 -25.68 61.24 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.51 78.6 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.901 -0.499 . . . . 0.0 109.749 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.72 -30.06 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.558 -1.257 . . . . 0.0 109.266 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -65.35 -40.15 93.27 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 109.176 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -70.08 -40.06 75.23 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.221 1.01 . . . . 0.0 110.64 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.93 84.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.636 -178.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.3 ptm -81.79 -26.98 33.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.16 -0.962 . . . . 0.0 110.442 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.17 -42.29 85.71 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.045 -1.034 . . . . 0.0 109.484 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.16 -39.93 91.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.561 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.3 mp -83.62 -69.63 0.62 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.428 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.3 m-20 -67.68 39.29 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.199 -0.938 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' A' ' 61' ' ' LEU . 17.6 pt-20 -58.14 -8.58 1.12 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 62' ' ' ASP . 23.9 m120 -86.75 -3.08 59.01 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.26 0.552 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.39 28.63 73.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 68' ' ' GLU . 50.2 p-10 -88.8 -2.61 58.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.993 . . . . 0.0 109.791 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.43 6.3 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.2 mt-10 -131.98 125.75 32.31 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.184 -1.186 . . . . 0.0 108.766 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.94 142.93 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.855 . . . . 0.0 109.138 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 65.5 t0 -62.13 -48.22 81.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.789 -1.194 . . . . 0.0 110.879 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER 146.06 -60.81 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.27 -35.09 74.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -42.52 95.8 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 109.1 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -66.76 -49.47 65.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.38 -0.825 . . . . 0.0 113.118 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.22 -39.82 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.027 -1.045 . . . . 0.0 112.039 -176.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.65 -40.71 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.485 -1.384 . . . . 0.0 110.982 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.15 -52.94 62.74 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.085 -1.009 . . . . 0.0 111.942 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.98 -20.36 14.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.434 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.46 10.08 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.147 -0.971 . . . . 0.0 110.78 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.01 82.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.056 -1.028 . . . . 0.0 111.207 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.19 -41.23 99.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.14 -40.49 94.05 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.246 -0.909 . . . . 0.0 109.121 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.84 -40.48 82.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.616 0.722 . . . . 0.0 109.759 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.04 86.54 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.566 -0.709 . . . . 0.0 110.255 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.7 -39.48 84.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.047 . . . . 0.0 109.152 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.86 -39.62 85.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.774 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.65 -36.49 83.01 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.213 -0.929 . . . . 0.0 109.435 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.91 -40.61 89.4 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 0.0 110.301 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 120.888 -1.133 . . . . 0.0 108.886 179.093 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.4 ' O ' ' N ' ' B' ' 6' ' ' THR . 50.7 m . . . . . 0 N--CA 1.501 2.083 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 45.8 mt-10 -60.16 -49.71 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.788 . . . . 0.0 109.301 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 2.0 tt -71.86 -39.99 69.29 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.65 -40.19 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 2' ' ' SER . 22.0 m -62.45 -22.65 66.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.06 80.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -81.13 -33.21 33.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.881 -1.137 . . . . 0.0 110.437 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' B' ' 9' ' ' GLU . 0.2 OUTLIER -71.77 -30.68 65.82 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.081 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -80.0 -51.91 8.47 Favored 'General case' 0 C--O 1.202 -1.411 0 O-C-N 121.17 -0.956 . . . . 0.0 111.568 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.43 -28.26 69.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.274 -1.517 . . . . 0.0 109.118 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.97 -33.56 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.584 -1.323 . . . . 0.0 110.238 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -71.26 -44.47 65.2 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.095 -1.003 . . . . 0.0 110.796 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.5 -32.44 52.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CZ ' ' CD1' ' B' ' 71' ' ' PHE . 65.8 t80 -62.1 -40.05 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.895 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -89.4 -9.21 51.14 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.49 -39.95 51.67 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.443 -0.786 . . . . 0.0 109.183 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -102.82 -27.78 12.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.431 -0.793 . . . . 0.0 111.372 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 58.3 m -60.21 -40.17 89.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.134 -0.979 . . . . 0.0 111.366 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.78 6.22 69.95 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -72.63 -29.72 63.71 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.434 -1.039 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.87 -2.09 56.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.696 -0.627 . . . . 0.0 110.723 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.34 -7.72 77.46 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' B' ' 27' ' ' LYS . 67.1 m-20 -90.72 38.34 0.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.413 -1.051 . . . . 0.0 108.407 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.08 -16.22 18.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.566 -0.709 . . . . 0.0 110.591 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.53 -19.34 65.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.73 -1.231 . . . . 0.0 109.031 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 24' ' ' ASP . 19.3 pttm -163.45 169.78 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.204 -0.935 . . . . 0.0 109.761 177.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -78.92 161.41 26.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.9 m -131.74 164.11 26.71 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.105 -0.997 . . . . 0.0 109.965 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' B' ' 30' ' ' LYS . 3.5 tmtt? -59.92 -40.79 90.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.606 -0.684 . . . . 0.0 110.576 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -74.8 -31.78 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.888 -1.133 . . . . 0.0 110.349 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.54 -45.13 80.45 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.514 -0.741 . . . . 0.0 111.41 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.82 -30.01 67.42 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.91 -1.119 . . . . 0.0 109.713 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 50.4 tptt -59.95 -39.74 86.63 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.412 ' O ' ' CG2' ' B' ' 39' ' ' THR . 94.3 m-20 -69.21 -39.68 78.44 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.737 -0.602 . . . . 0.0 111.841 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.25 -40.01 82.1 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.264 -0.898 . . . . 0.0 111.883 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -75.52 -43.31 49.61 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.688 -1.257 . . . . 0.0 110.628 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.45 HE21 ' C ' ' B' ' 34' ' ' LYS . 17.0 pt20 -68.77 -25.01 64.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.311 -0.868 . . . . 0.0 109.542 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 3.1 p -72.96 -56.52 5.04 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.377 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.2 mt-10 -113.04 -24.86 9.24 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.016 -1.053 . . . . 0.0 113.316 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.411 ' N ' HD13 ' B' ' 41' ' ' LEU . 6.6 mp -110.68 22.3 15.56 Favored 'General case' 0 N--CA 1.516 2.835 0 O-C-N 120.567 -1.333 . . . . 0.0 111.167 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.545 ' HG ' ' H ' ' B' ' 43' ' ' SER . 12.3 p -59.94 -49.34 78.07 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.682 -1.261 . . . . 0.0 110.777 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.545 ' H ' ' HG ' ' B' ' 42' ' ' SER . 68.7 m -61.47 -40.13 93.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.014 -1.053 . . . . 0.0 111.663 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.02 -69.9 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 109.931 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.85 96.8 7.74 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.33 138.74 54.5 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 118.551 -1.26 . . . . 0.0 107.722 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.493 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 1.6 p -161.5 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.012 -1.055 . . . . 0.0 110.403 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.25 -42.85 96.2 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.683 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -73.23 -39.09 65.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.913 -1.117 . . . . 0.0 109.605 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -101.91 79.76 1.94 Allowed 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.16 0.981 . . . . 0.0 109.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.57 -22.74 46.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 18.5 p-10 -72.01 -26.01 62.05 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.08 83.02 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.59 -30.18 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.166 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.21 -40.0 93.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.839 -1.163 . . . . 0.0 109.288 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.7 -39.83 73.22 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.164 0.983 . . . . 0.0 110.385 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -40.0 84.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.42 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.559 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.3 ptm -81.76 -27.19 33.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.81 -42.92 85.25 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.966 -1.084 . . . . 0.0 109.561 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.1 mp -84.0 -69.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.521 -0.737 . . . . 0.0 109.44 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -67.85 39.38 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.134 -0.979 . . . . 0.0 109.408 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.6 pt-20 -57.99 -8.83 1.12 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' B' ' 62' ' ' ASP . 23.2 m120 -86.45 -3.12 58.95 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.866 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.94 27.5 73.42 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.7 p-10 -88.24 -3.01 58.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.512 -0.993 . . . . 0.0 109.961 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.49 6.39 0.18 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 66' ' ' ASP . 93.0 mt-10 -131.61 125.42 32.18 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.249 -1.147 . . . . 0.0 108.74 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.2 t -93.9 142.71 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.427 -0.796 . . . . 0.0 109.036 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 65.5 t0 -61.96 -48.27 81.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.801 -1.187 . . . . 0.0 110.926 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' CZ ' ' B' ' 15' ' ' PHE . 0.9 OUTLIER 146.01 -61.08 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.86 -35.16 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -42.67 95.55 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.2 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.48 -49.9 65.08 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -60.19 -40.13 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.08 -1.013 . . . . 0.0 111.806 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -41.62 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.837 -1.165 . . . . 0.0 110.875 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.21 -52.42 64.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.172 -0.955 . . . . 0.0 112.191 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.32 -20.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.443 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.68 -55.39 10.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 110.766 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.96 81.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.959 -1.088 . . . . 0.0 111.275 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.58 -42.0 99.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.901 -1.124 . . . . 0.0 109.132 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -61.16 -40.17 92.86 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.351 -0.843 . . . . 0.0 109.22 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.16 -40.12 82.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.95 86.18 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.62 -0.675 . . . . 0.0 110.496 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.83 -39.9 86.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.981 -1.075 . . . . 0.0 109.083 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.64 -39.71 85.26 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.24 -36.99 83.7 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.0 109.497 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -59.8 -40.04 87.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.162 -0.962 . . . . 0.0 110.435 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.489 1.479 0 O-C-N 120.8 -1.187 . . . . 0.0 108.654 179.046 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.0 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.748 0.785 . . . . 0.0 108.954 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.17 -48.46 81.64 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.91 -40.0 75.83 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.94 -39.72 87.36 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' SER . 16.8 m -63.75 -22.22 66.8 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.64 81.41 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 110.186 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -81.03 -30.83 34.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.017 -1.052 . . . . 0.0 110.413 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.82 -30.39 62.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.287 -0.883 . . . . 0.0 110.212 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' B' ' 3' ' ' GLU . 6.7 t -79.47 -50.81 10.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.391 -0.818 . . . . 0.0 111.61 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -30.67 69.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.366 -1.459 . . . . 0.0 110.552 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -73.4 -27.88 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 119.914 -1.742 . . . . 0.0 110.336 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.69 -46.52 30.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.335 -0.853 . . . . 0.0 110.575 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.13 -32.92 60.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.0 t80 -60.05 -43.94 95.04 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.036 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -87.56 -4.19 58.97 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.8 -40.01 25.72 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.302 -0.874 . . . . 0.0 109.416 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -104.12 -23.35 13.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.676 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 66.3 m -68.19 -26.09 65.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.605 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 2.71 59.63 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -71.05 -34.11 70.92 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -94.19 -5.7 46.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.556 -0.715 . . . . 0.0 110.814 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.01 75.24 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -87.56 42.83 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -1.124 . . . . 0.0 108.269 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -61.17 -7.85 3.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.882 -0.511 . . . . 0.0 111.341 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -85.04 -13.02 51.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.637 -1.29 . . . . 0.0 109.424 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -160.09 160.33 32.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.329 -0.857 . . . . 0.0 109.088 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.8 tp -84.59 164.84 18.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.001 -1.062 . . . . 0.0 108.419 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -135.17 168.56 18.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.861 -1.15 . . . . 0.0 109.82 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.68 -41.58 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.259 -0.901 . . . . 0.0 112.233 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.0 -31.62 44.85 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.576 -1.328 . . . . 0.0 110.777 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 95.9 mt-10 -61.14 -45.91 92.72 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.378 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.95 -31.51 69.28 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.198 -0.939 . . . . 0.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -61.35 -40.06 92.87 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.047 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 36' ' ' LEU . 2.9 p30 -66.55 -39.7 88.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.882 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 88.8 mt -60.61 -41.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.353 -0.842 . . . . 0.0 111.679 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.36 -42.62 35.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.67 -1.269 . . . . 0.0 111.538 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' A' ' 42' ' ' SER . 13.5 pt20 -72.1 -22.06 61.4 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.836 0.827 . . . . 0.0 109.206 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 2.3 p -70.08 -57.31 5.12 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 120.911 -1.118 . . . . 0.0 109.685 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -113.05 -20.24 11.58 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.073 -1.017 . . . . 0.0 113.171 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.5 mp -111.3 28.7 8.48 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 120.481 -1.387 . . . . 0.0 111.399 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 53.5 m -60.02 -40.94 91.03 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.856 -1.153 . . . . 0.0 111.425 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -70.87 -41.29 71.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.872 -1.143 . . . . 0.0 112.131 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -80.0 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.755 -1.216 . . . . 0.0 110.529 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -83.43 94.38 7.98 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.1 129.3 40.65 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.234 -1.386 . . . . 0.0 107.964 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -144.08 -76.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.469 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' H ' ' CG1' ' A' ' 47' ' ' VAL . 6.2 pt20 -43.27 -35.84 1.6 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.709 -0.62 . . . . 0.0 110.474 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -73.13 -44.62 59.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.617 -1.302 . . . . 0.0 108.387 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 1.6 p30 -104.36 88.3 2.94 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.024 0.916 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.35 -19.24 54.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.92 -22.43 45.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.732 -1.23 . . . . 0.0 108.365 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.61 80.13 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.53 -30.77 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.467 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.62 -40.09 92.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.084 -1.01 . . . . 0.0 108.795 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.51 -39.97 77.25 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-N 115.069 -0.968 . . . . 0.0 113.393 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -76.42 -29.29 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttp -74.46 -31.63 62.3 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -49.98 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.25 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.74 -39.19 93.34 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.902 0.858 . . . . 0.0 108.713 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 61' ' ' LEU . 4.1 mp -68.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.671 0.748 . . . . 0.0 109.451 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.3 m-20 -83.4 42.78 0.84 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -49.32 -19.45 0.5 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 62' ' ' ASP . 65.1 t30 -78.63 -9.15 59.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.722 -0.611 . . . . 0.0 109.942 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.4 32.74 71.97 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.549 ' C ' ' H ' ' A' ' 68' ' ' GLU . 51.3 p-10 -90.02 -0.09 57.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.189 -1.183 . . . . 0.0 110.586 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.96 4.42 1.0 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' A' ' 66' ' ' ASP . 60.5 mm-40 -129.43 146.8 51.23 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 71' ' ' PHE . 40.5 t -119.02 138.98 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 CA-C-O 121.45 0.643 . . . . 0.0 110.353 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 72' ' ' GLN . 9.3 t70 -78.24 14.98 1.03 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 68.4 t80 62.42 -39.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.989 -0.444 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.6 mt-30 -66.38 -39.94 89.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 108.105 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -60.65 -39.96 90.26 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.206 1.003 . . . . 0.0 108.619 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.08 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -39.72 81.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 111.178 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.95 -42.89 98.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 O-C-N 119.874 -1.766 . . . . 0.0 111.736 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.68 -58.31 3.36 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.829 -1.169 . . . . 0.0 112.575 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.1 m -72.24 -28.09 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.608 -1.307 . . . . 0.0 112.782 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.78 -48.25 47.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.54 -1.35 . . . . 0.0 109.416 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.61 90.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.941 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -48.44 81.69 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.112 -0.993 . . . . 0.0 110.473 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.991 -1.068 . . . . 0.0 110.31 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.0 -43.79 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.399 -0.813 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.44 82.67 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.06 -39.91 87.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.99 -1.069 . . . . 0.0 109.76 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 110.191 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.11 -36.76 82.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.009 -1.057 . . . . 0.0 109.704 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 110.409 -179.397 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.537 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.9 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.759 0.79 . . . . 0.0 109.064 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.439 ' C ' ' HG1' ' A' ' 10' ' ' THR . 57.3 mt-10 -60.09 -48.86 79.96 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.64 -40.0 76.78 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.95 -39.54 87.29 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.537 ' N ' ' O ' ' B' ' 2' ' ' SER . 17.5 m -63.84 -22.39 66.89 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.91 82.87 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.653 0.739 . . . . 0.0 110.233 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -81.09 -30.65 34.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.021 -1.049 . . . . 0.0 110.475 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.01 -30.46 62.47 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 110.195 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.0 t -79.24 -51.26 9.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.381 -0.824 . . . . 0.0 111.691 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -30.39 69.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.373 -1.454 . . . . 0.0 110.604 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 pt -73.7 -27.49 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 119.9 -1.75 . . . . 0.0 110.447 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -76.37 -46.03 29.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.092 -1.005 . . . . 0.0 110.586 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.97 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 7.9 t80 -60.11 -44.03 95.17 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.927 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -87.77 -3.28 58.96 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.03 -39.42 23.54 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.332 -0.855 . . . . 0.0 109.431 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -104.32 -23.46 13.21 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.395 -0.815 . . . . 0.0 110.557 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 66.2 m -68.22 -26.2 65.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.544 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.1 2.75 59.85 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -71.08 -34.15 70.89 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.612 -0.934 . . . . 0.0 108.52 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -94.15 -5.78 46.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.617 -0.677 . . . . 0.0 110.774 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.03 75.27 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.42 42.83 1.06 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.374 -1.074 . . . . 0.0 108.263 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -61.06 -8.25 3.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.297 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -84.66 -13.39 51.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.672 -1.268 . . . . 0.0 109.475 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.403 ' HZ1' ' HB3' ' B' ' 68' ' ' GLU . 11.9 ttpp -160.11 159.99 32.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.93 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 tp -84.24 164.88 18.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.064 -1.023 . . . . 0.0 108.587 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -134.38 169.3 17.44 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.917 -1.115 . . . . 0.0 110.037 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -60.03 -41.91 93.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 112.132 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.18 -31.62 43.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.686 -1.259 . . . . 0.0 110.755 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 95.6 mt-10 -61.41 -45.56 93.82 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.367 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.98 -31.65 69.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.294 -0.879 . . . . 0.0 110.787 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -61.33 -40.0 92.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.998 -1.064 . . . . 0.0 110.072 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 2.9 p30 -67.3 -37.85 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.0 110.08 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 90.3 mt -62.28 -40.6 96.79 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 111.531 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.23 -43.32 33.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.749 -1.219 . . . . 0.0 111.446 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.519 ' O ' ' OG ' ' B' ' 42' ' ' SER . 13.5 pt20 -71.65 -22.28 61.7 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.817 0.818 . . . . 0.0 109.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 2.3 p -69.7 -57.51 5.05 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 120.768 -1.208 . . . . 0.0 109.72 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -112.96 -20.44 11.55 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.047 -1.033 . . . . 0.0 113.176 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.422 ' N ' HD13 ' B' ' 41' ' ' LEU . 6.5 mp -111.22 28.65 8.52 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 120.498 -1.376 . . . . 0.0 111.399 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.519 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 53.7 m -59.98 -41.06 91.18 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.845 -1.16 . . . . 0.0 111.293 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.5 m -70.42 -41.54 72.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.883 -1.136 . . . . 0.0 112.186 -177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -80.02 -69.93 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.727 -1.233 . . . . 0.0 110.544 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.59 94.85 8.17 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.27 129.37 40.95 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 118.206 -1.398 . . . . 0.0 107.901 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.18 -76.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.174 -0.954 . . . . 0.0 109.54 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -43.56 -35.79 1.84 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.494 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -72.96 -44.62 60.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.737 -1.227 . . . . 0.0 108.509 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 1.5 p30 -104.24 87.86 2.85 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.011 0.91 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -20.09 55.68 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.258 -0.901 . . . . 0.0 109.154 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -77.96 -23.27 48.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.784 -1.198 . . . . 0.0 108.479 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.01 84.09 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -70.44 -30.41 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.158 -0.964 . . . . 0.0 109.569 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.01 -39.9 90.64 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.035 -1.041 . . . . 0.0 108.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.67 -40.09 76.62 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.225 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 pt -76.59 -28.8 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.588 -1.32 . . . . 0.0 109.063 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttp -74.45 -31.69 62.34 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.51 -39.38 93.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.403 HD13 ' N ' ' B' ' 61' ' ' LEU . 3.7 mp -68.92 -60.0 2.67 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.709 0.766 . . . . 0.0 109.4 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.475 ' C ' ' N ' ' B' ' 64' ' ' ASN . 97.4 m-20 -83.71 43.0 0.88 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -49.54 -19.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.475 ' N ' ' C ' ' B' ' 62' ' ' ASP . 65.1 t30 -79.27 -8.88 59.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.715 -0.615 . . . . 0.0 109.747 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.03 33.0 73.55 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.9 p-10 -90.0 0.0 57.34 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.143 -1.21 . . . . 0.0 110.627 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 4.91 0.99 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' B' ' 66' ' ' ASP . 60.1 mm-40 -129.49 147.01 51.26 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.42 HG11 ' H ' ' B' ' 71' ' ' PHE . 40.2 t -119.09 139.16 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-O 121.508 0.671 . . . . 0.0 110.337 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' B' ' 72' ' ' GLN . 9.3 t70 -78.42 15.04 1.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.363 -0.835 . . . . 0.0 110.111 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 68.1 t80 62.45 -39.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 122.015 -0.428 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' B' ' 70' ' ' ASP . 96.6 mt-30 -65.93 -39.91 90.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.493 -1.38 . . . . 0.0 108.186 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.74 -39.98 90.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.166 0.984 . . . . 0.0 108.591 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.13 -48.66 80.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.315 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 O-C-N 121.006 -1.059 . . . . 0.0 111.035 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.51 -43.07 98.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 O-C-N 120.198 -1.564 . . . . 0.0 111.683 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.9 -58.41 3.3 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.827 -1.17 . . . . 0.0 112.675 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 m -72.19 -27.87 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.637 -1.289 . . . . 0.0 112.818 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.19 47.16 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.575 -1.328 . . . . 0.0 109.385 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.294 -0.879 . . . . 0.0 109.975 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -48.51 81.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.153 -0.967 . . . . 0.0 110.328 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -39.98 87.71 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.423 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -43.89 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 110.211 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.4 82.76 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.517 -0.74 . . . . 0.0 110.339 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.119 -0.988 . . . . 0.0 109.795 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -40.09 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.171 -0.955 . . . . 0.0 110.243 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -67.13 -36.59 82.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.98 -1.075 . . . . 0.0 109.712 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.496 -0.752 . . . . 0.0 110.074 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 120.881 -1.137 . . . . 0.0 110.411 -179.346 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 6' ' ' THR . 69.1 p . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 121.1 0.476 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 2.7 mm-40 -59.95 -47.55 85.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.164 -0.96 . . . . 0.0 108.689 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.59 -42.79 61.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.04 -40.08 94.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' SER . 17.7 m -67.27 -21.92 65.69 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.08 78.43 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.315 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.4 mmm -80.57 -32.92 36.46 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 110.482 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -71.17 -33.92 70.45 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 6.1 t -77.58 -45.75 24.3 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 112.415 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 10' ' ' THR . 1.7 pp -66.13 -25.65 67.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.089 -1.632 . . . . 0.0 110.344 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 pt -78.53 -31.23 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.292 -1.505 . . . . 0.0 110.206 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.24 -41.25 67.04 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.34 -35.35 57.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' A' ' 19' ' ' SER . 42.7 t80 -59.98 -40.08 87.9 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.97 -10.87 52.17 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -39.98 63.19 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.432 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -101.84 -34.76 9.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.512 -0.743 . . . . 0.0 111.149 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 56.8 m -59.97 -39.47 85.76 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.161 -0.962 . . . . 0.0 110.741 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.9 9.45 75.4 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.11 -29.08 25.13 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.527 -0.984 . . . . 0.0 109.944 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.62 -6.95 35.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.932 . . . . 0.0 111.301 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.41 52.96 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 106.889 -2.484 . . . . 0.0 106.889 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.8 t0 49.67 43.25 24.29 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.843 -1.387 . . . . 0.0 108.236 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -80.61 11.42 3.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.762 -0.586 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -56.8 -16.88 7.4 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -166.98 172.45 10.19 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -77.64 167.36 21.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.925 . . . . 0.0 108.614 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.545 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 5.2 p -134.33 165.01 26.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.974 -1.079 . . . . 0.0 110.021 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.94 -39.94 83.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.769 -0.582 . . . . 0.0 111.89 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -28.51 45.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.497 -1.377 . . . . 0.0 110.413 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 29' ' ' SER . 60.1 mt-10 -64.45 -50.09 68.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 110.534 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.54 -35.45 79.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.835 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 60.3 tttm -60.42 -39.97 89.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.157 -0.964 . . . . 0.0 109.837 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.97 -40.03 94.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.571 -0.706 . . . . 0.0 110.792 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.86 -39.98 94.41 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.247 -0.908 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.92 -44.16 56.03 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.827 -1.171 . . . . 0.0 111.423 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.434 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 3.3 pt20 -70.05 -21.75 63.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.329 -0.857 . . . . 0.0 109.601 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -77.75 -55.48 5.3 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 121.043 -1.035 . . . . 0.0 110.893 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.6 mt-10 -111.74 -28.0 8.28 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.193 -0.942 . . . . 0.0 112.775 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -109.59 26.61 10.44 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 120.739 -1.225 . . . . 0.0 110.772 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 p -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.785 -1.197 . . . . 0.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 t -68.38 -40.01 81.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.102 -0.999 . . . . 0.0 111.164 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.52 -70.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.874 -1.141 . . . . 0.0 110.942 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -85.0 96.53 9.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 34.4 p-10 -59.81 94.52 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.229 -0.919 . . . . 0.0 109.634 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.38 -24.96 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.473 -0.767 . . . . 0.0 109.924 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -78.52 -62.41 1.7 Allowed 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.059 -1.025 . . . . 0.0 111.718 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -59.92 -42.54 94.17 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.207 -0.933 . . . . 0.0 110.682 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 81.8 m-20 -100.61 74.13 1.66 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.476 -1.39 . . . . 0.0 109.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.05 -18.67 3.84 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.922 -1.111 . . . . 0.0 108.171 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -76.57 -21.46 55.62 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -66.19 -35.38 80.29 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.97 -26.18 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.785 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -69.9 -40.0 75.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.806 -1.183 . . . . 0.0 108.515 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -69.9 -39.94 75.92 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.104 0.954 . . . . 0.0 110.092 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -40.07 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.561 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.0 ptm -77.2 -27.03 53.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.836 -1.165 . . . . 0.0 109.679 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.14 -44.96 92.08 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.653 -0.655 . . . . 0.0 109.59 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.32 -39.9 94.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 108.279 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.5 mp -71.34 -61.14 1.88 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.798 0.808 . . . . 0.0 109.341 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 64' ' ' ASN . 86.5 m-20 -82.79 40.97 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.4 -16.44 0.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 62' ' ' ASP . 57.3 t30 -85.89 -6.71 59.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.773 -0.58 . . . . 0.0 110.015 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.04 31.72 69.51 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 68' ' ' GLU . 56.9 p30 -89.09 -2.08 58.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -1.219 . . . . 0.0 110.138 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.26 4.73 1.97 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.1 mt-10 -133.04 132.96 42.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -100.77 146.84 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 121.837 0.827 . . . . 0.0 111.409 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.9 t0 -86.6 26.14 1.14 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 26.1 p90 53.36 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -60.06 -39.53 86.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 119.995 -1.691 . . . . 0.0 108.594 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.98 -40.03 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.057 -1.027 . . . . 0.0 108.844 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.57 -47.4 85.67 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -40.02 81.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.931 -1.106 . . . . 0.0 111.565 -176.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.16 -40.03 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.391 -1.443 . . . . 0.0 111.771 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.45 -57.26 6.11 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.69 -1.257 . . . . 0.0 111.589 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.4 m -70.97 -23.58 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.679 -1.263 . . . . 0.0 111.758 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.75 66.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 109.585 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.94 86.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.4 -47.81 66.32 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.714 -1.242 . . . . 0.0 110.834 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.3 m -63.01 -40.53 98.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.917 -1.114 . . . . 0.0 110.755 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.6 -44.54 98.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.445 -0.784 . . . . 0.0 109.514 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.93 87.68 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.678 -0.639 . . . . 0.0 110.973 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.5 m -59.91 -39.95 87.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.117 -0.989 . . . . 0.0 109.738 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 110.447 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -66.18 -40.06 90.17 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.915 -1.116 . . . . 0.0 109.722 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -60.02 -39.99 87.72 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.614 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.076 -1.015 . . . . 0.0 109.444 -179.444 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' THR . 67.9 p . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.126 0.489 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 2.8 mm-40 -59.98 -47.38 86.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 108.526 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.47 -42.95 61.27 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.2 m -67.1 -21.8 65.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.08 78.6 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.234 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -80.59 -32.96 36.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.032 -1.042 . . . . 0.0 110.457 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.23 -34.13 70.49 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.452 -0.78 . . . . 0.0 110.308 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -77.35 -46.18 23.69 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 112.38 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.78 -25.45 67.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.044 -1.66 . . . . 0.0 110.349 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 pt -79.06 -30.52 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.264 -1.522 . . . . 0.0 110.311 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -73.14 -40.75 64.64 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.157 -0.965 . . . . 0.0 109.597 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.36 -35.37 57.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' B' ' 19' ' ' SER . 42.9 t80 -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -86.97 -10.77 52.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.0 -40.0 63.24 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -102.0 -34.49 9.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.527 -0.733 . . . . 0.0 111.165 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 59.1 m -60.05 -39.81 87.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 0.0 110.632 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.77 9.69 75.17 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -85.48 -28.59 24.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.952 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.85 -6.67 35.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.192 -0.943 . . . . 0.0 111.291 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.04 -173.62 53.45 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 106.938 -2.465 . . . . 0.0 106.938 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.89 43.2 25.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.843 -1.387 . . . . 0.0 108.161 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 11.43 3.71 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.822 -0.549 . . . . 0.0 110.893 -178.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -56.57 -17.67 9.27 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -166.67 171.88 11.15 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -77.02 166.93 22.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.215 -0.928 . . . . 0.0 108.689 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.544 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 4.9 p -132.85 166.22 22.79 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.094 -1.004 . . . . 0.0 109.869 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -60.0 -39.95 87.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 111.809 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -28.48 44.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.532 -1.355 . . . . 0.0 110.482 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 29' ' ' SER . 59.9 mt-10 -64.46 -50.22 68.37 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.53 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.46 -35.59 79.48 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.746 . . . . 0.0 110.772 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.631 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 59.6 tttm -60.14 -40.02 88.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.096 -1.003 . . . . 0.0 109.945 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.427 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.3 m-20 -64.76 -40.02 94.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.561 -0.712 . . . . 0.0 111.109 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.21 -40.01 93.56 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.268 -0.895 . . . . 0.0 110.879 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 mt -73.73 -44.16 57.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.745 -1.222 . . . . 0.0 111.499 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.631 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 3.3 pt20 -70.06 -21.7 63.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.267 -0.895 . . . . 0.0 109.608 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 3.2 p -77.77 -55.37 5.39 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 120.993 -1.067 . . . . 0.0 110.964 -178.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.9 mt-10 -111.75 -28.16 8.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.142 -0.973 . . . . 0.0 112.717 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.54 26.37 10.72 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 120.699 -1.251 . . . . 0.0 110.744 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.576 ' HG ' ' N ' ' B' ' 43' ' ' SER . 51.6 p -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.86 -1.15 . . . . 0.0 110.678 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.576 ' N ' ' HG ' ' B' ' 42' ' ' SER . 29.4 t -68.2 -40.02 82.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.053 -1.029 . . . . 0.0 111.164 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.65 -70.25 0.52 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.917 -1.114 . . . . 0.0 110.899 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.9 96.49 9.36 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 34.3 p-10 -59.89 94.18 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.307 -0.871 . . . . 0.0 109.689 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.09 -25.0 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.425 -0.797 . . . . 0.0 109.953 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.43 -62.31 1.73 Allowed 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 111.671 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.11 -42.21 94.22 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 110.735 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.2 m-20 -100.76 73.74 1.61 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.593 -1.317 . . . . 0.0 109.611 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.73 -18.81 3.43 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.842 -1.161 . . . . 0.0 108.133 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 17.1 p-10 -76.42 -21.77 55.53 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.54 -36.35 83.55 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -77.51 -26.11 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -69.86 -40.02 76.0 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.849 -1.157 . . . . 0.0 108.495 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -69.78 -40.12 76.23 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.033 0.92 . . . . 0.0 110.095 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -40.01 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 26.5 ptm -77.21 -27.09 53.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.812 -1.18 . . . . 0.0 109.695 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -58.77 -45.28 90.16 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.657 -0.652 . . . . 0.0 109.453 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.13 -39.97 95.17 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.041 -1.037 . . . . 0.0 108.322 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.2 mp -71.49 -61.04 1.92 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.758 0.79 . . . . 0.0 109.346 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.46 ' C ' ' N ' ' B' ' 64' ' ' ASN . 87.5 m-20 -82.79 40.9 0.7 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.55 -16.13 0.2 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.46 ' N ' ' C ' ' B' ' 62' ' ' ASP . 57.0 t30 -86.09 -6.96 58.92 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.658 -0.651 . . . . 0.0 109.926 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.24 32.02 68.85 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' B' ' 68' ' ' GLU . 57.4 p-10 -89.33 -1.96 58.26 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.192 -1.181 . . . . 0.0 110.186 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.13 4.76 1.89 Allowed Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 66' ' ' ASP . 97.1 mt-10 -132.95 132.99 42.62 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.405 -1.056 . . . . 0.0 108.155 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.02 146.41 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.88 0.847 . . . . 0.0 111.482 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 72' ' ' GLN . 22.3 t0 -86.19 25.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.679 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 23.2 p90 53.68 -47.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.6 tt0 -59.96 -39.55 86.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.041 -1.662 . . . . 0.0 108.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.9 -40.12 87.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.99 -1.069 . . . . 0.0 108.858 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.58 -47.62 84.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -40.07 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.802 -1.186 . . . . 0.0 111.54 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.65 -40.03 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.715 -1.24 . . . . 0.0 111.724 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.9 -57.61 5.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.737 -1.227 . . . . 0.0 111.528 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.2 m -70.7 -23.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.727 -1.233 . . . . 0.0 111.755 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -45.61 65.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.68 -1.262 . . . . 0.0 109.545 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.97 86.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.502 -0.749 . . . . 0.0 111.782 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.28 -48.0 66.17 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.757 -1.214 . . . . 0.0 110.792 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -62.84 -40.95 99.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.884 -1.135 . . . . 0.0 110.684 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -44.64 98.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.545 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.694 -0.629 . . . . 0.0 111.026 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.84 -39.97 86.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.04 -1.037 . . . . 0.0 109.858 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.93 -40.01 87.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.333 -0.855 . . . . 0.0 110.407 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -66.15 -40.0 90.24 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.994 -1.066 . . . . 0.0 109.698 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.1 -39.92 87.87 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.138 -0.976 . . . . 0.0 110.722 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.956 -1.09 . . . . 0.0 109.435 -179.633 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -60.0 -49.87 75.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 110.558 -179.354 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.404 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 62.3 tp -67.52 -47.85 68.76 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.42 -39.94 89.21 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.129 -0.982 . . . . 0.0 108.723 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m -62.56 -22.08 66.06 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.1 -35.66 76.71 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.166 -0.959 . . . . 0.0 110.173 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -38.07 48.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.993 -1.067 . . . . 0.0 109.975 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -69.78 -25.66 63.9 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.428 1.109 . . . . 0.0 109.168 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -72.79 -58.42 3.35 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.382 -177.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.66 -24.82 63.67 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.52 -31.55 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.532 -1.355 . . . . 0.0 110.147 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -72.51 -43.73 63.19 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.475 -0.766 . . . . 0.0 110.716 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 m -74.13 -31.56 29.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 122.37 1.081 . . . . 0.0 108.591 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.89 -39.96 95.39 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.708 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -88.41 -11.4 46.19 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.62 63.88 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.255 -0.903 . . . . 0.0 108.953 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.03 -35.1 10.55 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.535 -0.728 . . . . 0.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -59.93 -39.34 85.17 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.336 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.01 1.76 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.22 -68.76 0.66 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.406 -1.056 . . . . 0.0 108.515 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -124.56 -8.88 7.41 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.264 -0.574 . . . . 0.0 112.406 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.68 -174.49 43.2 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' O ' ' A' ' 27' ' ' LYS . 91.5 m-20 50.01 37.61 14.52 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -15.92 59.45 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.404 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 39.9 t80 -90.3 -8.49 50.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.837 -1.165 . . . . 0.0 109.622 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 24' ' ' ASP . 14.5 ptpt -168.67 172.97 7.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.017 -1.052 . . . . 0.0 109.504 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -79.18 165.28 23.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.94 -1.1 . . . . 0.0 109.356 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -133.16 162.38 31.91 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.153 -0.967 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.964 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -74.57 -31.52 62.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.78 -1.2 . . . . 0.0 110.245 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.9 -42.07 77.39 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.395 -0.816 . . . . 0.0 111.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.03 -34.74 73.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.084 -1.01 . . . . 0.0 111.059 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.61 -36.51 78.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.911 -1.118 . . . . 0.0 109.556 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' THR . 95.7 m-20 -66.09 -40.64 90.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.274 -0.891 . . . . 0.0 110.45 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' A' ' 39' ' ' THR . 54.2 mt -64.57 -39.97 94.7 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 111.689 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.4 mt -76.97 -41.8 41.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.586 -1.321 . . . . 0.0 111.468 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.15 -21.0 63.12 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.158 -0.964 . . . . 0.0 108.742 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 1.9 p -73.4 -59.01 2.91 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.824 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -111.96 -29.41 7.65 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.947 -1.096 . . . . 0.0 112.133 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.42 29.07 7.89 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 120.944 -1.098 . . . . 0.0 110.798 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.9 p -59.92 -43.07 95.12 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.987 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.0 p -74.37 -31.76 62.51 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.823 -1.173 . . . . 0.0 111.038 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -79.98 -69.77 0.56 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.9 -1.125 . . . . 0.0 110.26 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -81.07 97.36 7.49 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 44.5 t0 -54.26 137.71 40.61 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.478 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 1.5 p -164.88 -56.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.997 -1.064 . . . . 0.0 110.683 -178.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.0 -46.87 88.05 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.968 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -70.75 -39.95 72.98 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.733 -1.229 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -105.52 82.92 1.87 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.463 1.125 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.81 -25.96 65.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.556 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.67 -23.24 62.47 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.595 -1.315 . . . . 0.0 107.688 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.54 -36.05 82.95 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.95 -25.97 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.433 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.97 -40.01 75.63 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.694 -1.254 . . . . 0.0 108.752 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -70.19 -40.02 74.88 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -36.35 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-O 121.8 0.81 . . . . 0.0 108.871 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 3.5 tmm? -80.51 -27.02 37.81 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -60.9 -41.91 97.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.587 -0.695 . . . . 0.0 109.946 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -69.42 -25.04 63.93 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.9 mp -80.09 -71.07 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.833 0.825 . . . . 0.0 109.64 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 93.5 m-20 -74.64 41.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.3 tt0 -51.26 -17.53 0.73 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 62' ' ' ASP . 23.3 m120 -82.72 -8.34 59.6 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.224 0.535 . . . . 0.0 109.678 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.83 62.89 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 68' ' ' GLU . 33.0 p-10 -87.82 -7.27 57.49 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.782 -1.422 . . . . 0.0 110.352 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.03 -4.09 1.86 Allowed Glycine 0 N--CA 1.501 3.017 0 O-C-N 120.865 -1.147 . . . . 0.0 110.534 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 mt-10 -123.99 136.4 54.27 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.8 t -99.38 138.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.402 -0.811 . . . . 0.0 109.939 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.3 m-20 -74.16 28.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.606 -0.684 . . . . 0.0 110.373 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 22.7 p90 53.38 -48.19 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.653 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.5 tt0 -60.03 -40.07 88.1 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.451 -1.406 . . . . 0.0 108.994 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.696 -1.252 . . . . 0.0 109.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.23 -49.72 76.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.609 -0.682 . . . . 0.0 112.099 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -29.14 40.66 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 O-C-N 120.38 -1.45 . . . . 0.0 110.211 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.19 -55.93 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.531 -1.356 . . . . 0.0 113.324 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -70.55 -40.14 73.56 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 119.761 -1.837 . . . . 0.0 112.907 -176.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.405 ' H ' HD21 ' A' ' 77' ' ' LEU . 1.6 m -75.94 -27.2 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.058 -1.651 . . . . 0.0 110.931 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.85 73.72 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.613 -1.305 . . . . 0.0 109.251 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.36 68.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.72 77.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.979 -1.076 . . . . 0.0 110.182 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 76.8 p -67.0 -44.91 79.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.033 -1.042 . . . . 0.0 111.818 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 9.7 p -69.15 -43.7 81.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.006 -1.059 . . . . 0.0 110.667 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.58 -42.92 99.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.0 111.115 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -60.04 -39.97 87.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.118 -0.989 . . . . 0.0 110.627 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 20.7 m120 -60.35 -40.09 89.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.915 -1.116 . . . . 0.0 110.262 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.46 -26.53 62.76 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.992 -1.067 . . . . 0.0 109.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -40.08 88.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.058 -1.026 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.891 . . . . 0.0 109.494 -179.742 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.3 p . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.497 0.665 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.611 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -60.03 -49.82 76.16 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 110.569 -179.323 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.32 -47.68 69.82 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.676 -1.265 . . . . 0.0 109.167 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.71 -40.01 90.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.964 . . . . 0.0 108.703 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.412 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.7 m -62.46 -22.24 66.07 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.501 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -68.77 -35.98 77.74 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -37.82 47.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.954 -1.091 . . . . 0.0 109.896 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.84 -25.61 63.83 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 122.347 1.07 . . . . 0.0 109.019 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -72.8 -58.27 3.47 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.454 -177.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.93 -24.63 63.4 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.353 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.57 -31.61 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.68 -1.262 . . . . 0.0 110.108 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.82 -43.9 62.13 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.301 -0.874 . . . . 0.0 110.714 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 m -73.52 -32.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 122.508 1.146 . . . . 0.0 108.557 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.65 -40.08 95.95 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.843 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.6 -10.63 48.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.47 62.44 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.165 -0.96 . . . . 0.0 109.0 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -98.01 -34.76 10.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.572 -0.705 . . . . 0.0 111.116 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -60.04 -39.21 85.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 0.0 110.442 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.21 43.42 1.67 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -81.7 -68.44 0.69 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.384 -1.068 . . . . 0.0 108.521 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -124.73 -8.72 7.32 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.276 -0.57 . . . . 0.0 112.31 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -177.02 -174.62 43.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.5 m-20 50.07 37.8 15.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -15.92 59.41 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.488 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 38.5 t80 -89.97 -8.8 50.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.885 -1.134 . . . . 0.0 109.631 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 24' ' ' ASP . 14.6 ptpt -168.74 172.69 7.72 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.97 -1.081 . . . . 0.0 109.404 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.04 165.34 23.51 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.963 -1.086 . . . . 0.0 109.465 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p -132.63 162.68 30.7 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.177 -0.952 . . . . 0.0 109.987 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.0 -39.71 86.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.943 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -75.28 -31.26 60.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.751 -1.218 . . . . 0.0 110.375 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.98 -41.94 77.2 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.481 -0.762 . . . . 0.0 111.637 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.07 -35.22 74.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.195 -0.94 . . . . 0.0 110.891 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.03 -36.61 77.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 109.667 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CG2' ' B' ' 39' ' ' THR . 96.1 m-20 -66.4 -40.02 89.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.548 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.0 mt -65.12 -40.07 93.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 111.602 -178.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 42' ' ' SER . 52.5 mt -76.59 -42.42 42.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.588 -1.32 . . . . 0.0 111.46 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -69.96 -21.08 63.28 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.055 0.931 . . . . 0.0 108.739 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 1.8 p -72.81 -59.79 2.55 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.297 -0.877 . . . . 0.0 110.619 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -111.5 -29.36 7.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.991 -1.068 . . . . 0.0 112.336 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.59 29.34 7.67 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.952 -1.093 . . . . 0.0 110.621 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.1 p -60.11 -42.93 95.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.884 -1.135 . . . . 0.0 111.11 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.2 p -74.45 -32.0 62.45 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.0 111.012 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.07 -69.75 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 110.222 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.2 mm? -80.97 97.55 7.52 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 45.1 t0 -53.96 137.9 38.19 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 1.5 p -165.3 -56.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.004 -1.06 . . . . 0.0 110.549 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -59.84 -46.4 89.38 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -71.14 -39.8 71.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.721 -1.237 . . . . 0.0 109.32 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -105.67 83.18 1.9 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.374 1.083 . . . . 0.0 108.992 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.41 66.0 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.252 -0.905 . . . . 0.0 109.451 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.1 p-10 -70.15 -23.89 63.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.632 -1.292 . . . . 0.0 107.623 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -63.04 -38.61 91.89 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.3 -25.82 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 C-N-CA 119.347 -0.941 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.87 -39.98 76.02 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.777 -1.202 . . . . 0.0 108.635 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.41 -39.91 74.17 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.831 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 3.4 tmm? -80.27 -27.22 38.65 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.686 0.755 . . . . 0.0 109.061 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.58 -42.33 96.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.497 -0.752 . . . . 0.0 110.07 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.12 -25.19 64.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.407 -0.808 . . . . 0.0 108.848 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.6 mp -80.08 -70.87 0.49 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.808 0.813 . . . . 0.0 109.628 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 94.1 m-20 -74.83 41.66 0.16 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.5 tt0 -51.28 -17.24 0.67 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.481 ' N ' ' C ' ' B' ' 62' ' ' ASP . 21.6 m120 -82.85 -8.45 59.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.25 0.548 . . . . 0.0 109.672 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.99 28.02 63.31 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.238 -0.914 . . . . 0.0 110.978 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' B' ' 68' ' ' GLU . 33.3 p-10 -87.45 -7.7 57.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.75 -1.441 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.12 -3.61 2.18 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 120.885 -1.134 . . . . 0.0 110.458 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.9 mt-10 -124.23 136.36 54.1 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' B' ' 71' ' ' PHE . 24.9 t -99.27 138.09 24.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.665 ' O ' ' N ' ' B' ' 72' ' ' GLN . 82.3 m-20 -74.04 28.17 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.549 -0.719 . . . . 0.0 110.293 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 22.6 p90 53.67 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.4 tt0 -59.98 -39.87 87.2 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.473 -1.392 . . . . 0.0 109.049 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.22 -43.61 95.86 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.624 -1.297 . . . . 0.0 109.558 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -60.31 -49.73 76.43 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.717 -0.614 . . . . 0.0 112.08 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -29.7 40.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 120.212 -1.555 . . . . 0.0 110.066 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -56.29 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.019 -1.05 . . . . 0.0 113.321 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.439 HD21 ' H ' ' B' ' 77' ' ' LEU . 0.0 OUTLIER -71.15 -39.87 71.67 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 119.752 -1.843 . . . . 0.0 113.043 -176.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.407 ' H ' HD23 ' B' ' 77' ' ' LEU . 2.4 m -75.97 -27.13 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.026 -1.671 . . . . 0.0 110.96 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.87 73.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.5 -1.375 . . . . 0.0 109.276 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.15 68.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -39.78 77.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.017 -1.052 . . . . 0.0 110.148 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.424 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 82.2 p -67.08 -45.53 77.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.039 -1.038 . . . . 0.0 111.712 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 9.9 p -68.27 -43.88 84.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.924 -1.11 . . . . 0.0 110.65 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.86 -42.52 99.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.996 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.02 -40.31 88.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.126 -0.984 . . . . 0.0 110.705 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.7 m120 -60.22 -39.91 88.32 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.929 -1.107 . . . . 0.0 110.375 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.64 -26.54 62.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.967 -1.083 . . . . 0.0 108.967 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 109.96 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.717 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -59.99 -44.82 94.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.44 -0.787 . . . . 0.0 110.268 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.3 tp -68.77 -52.61 28.52 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.532 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' OG1' ' A' ' 10' ' ' THR . 31.5 m -61.7 -22.96 65.79 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.481 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.99 -37.25 75.66 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.764 -0.585 . . . . 0.0 111.038 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtt -80.96 -35.02 32.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.78 -1.2 . . . . 0.0 110.221 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.09 -29.26 66.2 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.453 1.121 . . . . 0.0 108.113 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -69.73 -59.02 3.21 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.917 -177.586 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.99 -28.1 65.25 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.119 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.25 -39.82 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.093 -1.004 . . . . 0.0 109.831 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -65.3 -39.89 93.1 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.225 1.012 . . . . 0.0 109.456 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -24.43 16.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -35.98 75.8 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -88.68 -9.03 53.5 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.78 54.89 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.987 -1.07 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 22.7 t-80 -112.55 -25.8 8.98 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.576 -0.702 . . . . 0.0 112.024 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 43.4 t -59.95 -39.02 84.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.897 -1.127 . . . . 0.0 110.74 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.34 0.82 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -87.16 -48.89 7.68 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -1.113 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.95 -33.08 6.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.847 -0.533 . . . . 0.0 111.406 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 25' ' ' LYS . . . -169.39 -166.05 27.77 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.7 m-20 50.02 29.17 3.31 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' GLY . 3.6 tmtt? -65.48 -19.63 66.01 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.124 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.64 -11.71 36.29 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.731 -1.23 . . . . 0.0 110.685 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' ASP . 84.0 tttt -160.26 161.41 33.41 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.788 -1.195 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -79.09 162.19 26.02 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.689 -1.257 . . . . 0.0 108.515 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.6 m -136.86 166.61 23.22 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.797 -1.189 . . . . 0.0 110.169 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -59.87 -40.24 87.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.899 . . . . 0.0 112.396 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -77.85 -28.65 50.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.366 -1.458 . . . . 0.0 110.334 -177.716 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 19' ' ' SER . 94.0 mt-10 -65.06 -48.76 72.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 111.326 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.43 -34.51 76.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.844 . . . . 0.0 111.143 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 55.7 tttm -64.93 -39.97 94.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.927 -1.108 . . . . 0.0 110.338 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 89.5 m-20 -61.2 -40.15 92.88 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.104 -0.998 . . . . 0.0 109.554 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 39' ' ' THR . 85.0 mt -60.38 -40.0 89.3 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.75 -35.6 38.53 Favored 'General case' 0 C--N 1.288 -2.099 0 O-C-N 119.952 -1.717 . . . . 0.0 110.965 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.54 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.9 mt-30 -69.77 -0.47 7.13 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 111.836 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -101.73 -50.88 3.58 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.057 -1.027 . . . . 0.0 111.648 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 42.5 mm-40 -111.89 -31.5 6.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.954 -1.091 . . . . 0.0 112.173 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -110.36 28.7 8.39 Favored 'General case' 0 N--CA 1.513 2.714 0 O-C-N 120.924 -1.11 . . . . 0.0 110.706 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 m -61.44 -41.74 97.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.02 -1.05 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -70.06 -39.4 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.363 -0.835 . . . . 0.0 111.954 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.2 -67.71 0.73 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 109.591 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.4 mt -81.03 97.06 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.34 106.26 0.72 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.569 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.49 -19.23 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.545 -0.722 . . . . 0.0 109.537 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -80.14 -68.02 0.71 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.04 -1.038 . . . . 0.0 112.803 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -45.95 81.67 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 110.963 -176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ALA . 96.2 m-20 -97.15 77.66 2.72 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.543 -1.348 . . . . 0.0 109.498 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.87 -19.98 20.53 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.52 -21.67 57.78 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -35.6 81.05 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -78.87 -24.77 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.235 -0.916 . . . . 0.0 110.223 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -70.09 -39.9 75.29 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.805 -1.184 . . . . 0.0 107.806 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.17 -39.26 75.39 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.618 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.74 -32.05 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.397 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 ttp -83.71 -25.5 30.57 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.61 -36.37 78.42 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.4 mp -77.72 -65.13 1.0 Allowed 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.515 0.674 . . . . 0.0 109.784 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' ASN . 96.9 m-20 -80.82 42.88 0.65 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.0 pt-20 -54.01 -13.9 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' A' ' 62' ' ' ASP . 49.8 t30 -88.65 -6.23 57.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.09 33.64 69.73 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.494 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.2 p-10 -87.95 -5.67 58.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.035 -1.274 . . . . 0.0 110.6 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.83 -2.7 1.81 Allowed Glycine 0 N--CA 1.497 2.739 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.5 mt-10 -130.0 144.82 51.54 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.442 -1.034 . . . . 0.0 108.646 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -113.65 149.03 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 CA-C-O 121.979 0.895 . . . . 0.0 111.756 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.635 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 44.0 t0 -85.49 23.33 1.37 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 30.2 p90 54.59 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 19.7 pt20 -60.05 -37.65 80.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.057 -1.652 . . . . 0.0 108.892 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -60.09 -40.0 88.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.18 -0.95 . . . . 0.0 108.89 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.53 -49.24 72.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.7 -39.9 77.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 120.81 -1.181 . . . . 0.0 111.419 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -68.41 -34.75 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.48 -1.388 . . . . 0.0 111.217 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -58.08 8.23 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.942 -1.098 . . . . 0.0 111.315 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -22.44 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.614 . . . . 0.0 110.686 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.76 57.38 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.178 -0.952 . . . . 0.0 110.216 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.73 74.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.203 -0.936 . . . . 0.0 112.121 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.55 -46.83 74.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.738 -1.226 . . . . 0.0 111.12 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.6 -40.76 89.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.845 -1.159 . . . . 0.0 111.029 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.21 -42.13 92.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.387 -0.82 . . . . 0.0 109.394 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.15 92.58 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.646 -0.659 . . . . 0.0 110.14 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.11 -42.51 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.158 -0.964 . . . . 0.0 110.646 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.928 -1.108 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.93 -38.58 86.3 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.298 -0.876 . . . . 0.0 108.696 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.17 -40.97 91.83 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.291 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--N 1.303 -1.444 0 O-C-N 120.969 -1.082 . . . . 0.0 108.929 178.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.491 0.663 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.439 -0.788 . . . . 0.0 110.163 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.55 -52.47 31.54 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.564 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -39.96 87.43 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.505 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.4 m -61.75 -23.17 65.99 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.492 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -69.42 -37.55 77.48 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.344 0.592 . . . . 0.0 110.961 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.4 mtt -80.9 -35.13 32.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.286 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.03 -29.04 65.99 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.475 1.131 . . . . 0.0 108.14 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -70.03 -59.0 3.18 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.819 -177.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.943 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.48 -39.4 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.216 -0.927 . . . . 0.0 110.035 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -65.82 -40.1 91.52 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.138 0.97 . . . . 0.0 109.499 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.06 -24.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.78 -36.03 75.38 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -88.48 -9.2 53.26 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.37 55.3 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.884 -1.135 . . . . 0.0 109.694 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.535 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 22.7 t-80 -112.63 -25.9 8.9 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.573 -0.704 . . . . 0.0 111.968 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 44.9 t -60.02 -39.29 85.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.859 -1.151 . . . . 0.0 110.745 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.88 52.14 0.83 Allowed Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -86.88 -49.29 7.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.285 -1.127 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -111.95 -32.9 6.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.854 -0.529 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.08 -166.11 27.58 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 27' ' ' LYS . 40.0 m-20 50.06 29.14 3.34 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -65.55 -19.6 65.99 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.081 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.37 -12.37 35.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.71 -1.244 . . . . 0.0 110.638 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' ASP . 84.3 tttt -160.07 161.21 33.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.778 -1.201 . . . . 0.0 109.681 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -78.96 162.23 26.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.652 -1.28 . . . . 0.0 108.507 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -136.53 167.1 22.01 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.853 -1.154 . . . . 0.0 110.168 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -60.11 -40.08 88.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 112.523 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.407 ' CD ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -78.22 -28.67 47.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.336 -1.478 . . . . 0.0 110.311 -177.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' B' ' 19' ' ' SER . 94.2 mt-10 -64.99 -48.89 72.36 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.327 -0.858 . . . . 0.0 111.273 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -34.53 76.29 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.334 -0.854 . . . . 0.0 111.178 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 54.9 tttm -64.8 -40.1 94.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.998 -1.063 . . . . 0.0 110.264 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 89.9 m-20 -61.27 -39.91 92.14 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.199 -0.938 . . . . 0.0 109.715 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.424 ' O ' ' CG2' ' B' ' 39' ' ' THR . 83.5 mt -60.7 -39.99 90.59 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -79.73 -35.74 38.4 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 119.989 -1.694 . . . . 0.0 111.028 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -69.54 -0.66 7.01 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 111.867 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -101.66 -50.94 3.57 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.995 -1.066 . . . . 0.0 111.545 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 43.2 mm-40 -111.88 -31.54 6.9 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.889 -1.132 . . . . 0.0 112.089 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -110.14 28.29 8.76 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.981 -1.075 . . . . 0.0 110.862 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.9 m -61.32 -41.82 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.01 -1.056 . . . . 0.0 110.089 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -69.91 -39.61 76.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.314 -0.866 . . . . 0.0 111.981 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.03 -67.6 0.74 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.693 -1.255 . . . . 0.0 109.674 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.91 97.16 7.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.59 106.12 0.73 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.627 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.44 -19.13 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.609 -0.682 . . . . 0.0 109.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 -67.99 0.71 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.983 -1.073 . . . . 0.0 112.812 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.02 -45.35 83.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 111.149 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -97.45 77.44 2.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.441 -1.412 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.83 -20.13 21.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.21 -22.13 58.18 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.01 -37.26 87.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.8 -24.68 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.96 -40.13 75.6 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.753 -1.217 . . . . 0.0 107.765 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.94 -39.45 76.09 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -32.14 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.712 -0.617 . . . . 0.0 109.386 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.51 -25.37 31.12 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 122.388 1.09 . . . . 0.0 108.138 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -60.09 -40.13 88.54 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.46 -36.4 78.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.6 mp -77.73 -65.29 0.98 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.514 0.674 . . . . 0.0 109.848 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 64' ' ' ASN . 96.7 m-20 -80.81 42.94 0.65 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.1 -13.63 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' B' ' 62' ' ' ASP . 49.7 t30 -88.93 -6.16 57.47 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.07 33.75 69.89 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.0 p-10 -87.91 -5.86 58.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.037 -1.273 . . . . 0.0 110.593 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.67 -2.38 1.88 Allowed Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.4 mt-10 -130.01 144.71 51.48 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.563 -0.963 . . . . 0.0 108.545 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.48 149.16 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 121.877 0.846 . . . . 0.0 111.733 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.638 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 44.3 t0 -85.61 23.28 1.41 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 29.2 p90 54.39 -47.36 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.629 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 19.5 pt20 -60.09 -37.65 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.125 -1.609 . . . . 0.0 108.83 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -59.99 -40.05 87.84 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 108.919 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -64.38 -49.53 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.62 -40.0 77.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 120.747 -1.22 . . . . 0.0 111.393 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 m -67.68 -35.38 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.731 -1.23 . . . . 0.0 111.191 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 tp -63.33 -58.12 8.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.972 -1.08 . . . . 0.0 111.424 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -22.56 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.65 -0.656 . . . . 0.0 110.667 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.14 -50.21 56.12 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.84 74.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.252 -0.905 . . . . 0.0 112.191 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.53 -47.1 73.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.721 -1.237 . . . . 0.0 110.993 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -65.64 -42.03 91.91 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.928 -1.108 . . . . 0.0 111.032 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.29 -42.32 90.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.476 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.06 92.97 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.551 -0.718 . . . . 0.0 110.082 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.3 m -61.01 -42.64 98.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.0 110.629 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.31 -40.04 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.885 -1.134 . . . . 0.0 109.585 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.82 -38.8 86.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.643 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.86 -41.11 90.77 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.332 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.944 -1.098 . . . . 0.0 108.88 179.004 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' THR . 52.8 m . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.12 -49.76 76.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.336 -0.853 . . . . 0.0 109.213 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.71 -39.92 63.98 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -39.94 95.85 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 2' ' ' SER . 22.4 m -64.0 -21.19 66.39 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.1 78.97 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.059 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.502 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 57.5 ttp -75.45 -40.0 58.11 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 110.928 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.01 66.04 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.383 -0.823 . . . . 0.0 111.294 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 -46.14 20.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.113 -0.992 . . . . 0.0 111.802 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.64 -27.04 64.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.167 -1.583 . . . . 0.0 109.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.85 -36.48 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.003 -1.061 . . . . 0.0 109.998 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -71.15 -41.49 70.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.974 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.41 -33.08 58.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 36.5 t80 -60.85 -40.07 91.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 40.6 t-80 -86.77 -7.4 58.29 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -30.88 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.935 -1.103 . . . . 0.0 110.706 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.09 -32.3 6.83 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.077 -1.015 . . . . 0.0 110.803 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.118 -0.989 . . . . 0.0 111.304 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.23 -5.21 90.22 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.965 -1.084 . . . . 0.0 110.636 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -26.41 44.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.949 -1.324 . . . . 0.0 108.694 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 66.7 mm-40 -89.3 -2.83 58.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 90.29 -32.82 4.77 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.9 m-20 -71.08 59.55 0.24 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' GLY . 4.2 ttpm? -78.05 -16.91 57.64 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 -177.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.48 -14.21 41.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.808 -1.183 . . . . 0.0 109.269 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' ASP . 2.7 ttmp? -153.88 155.1 35.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -84.86 169.95 13.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.89 -1.131 . . . . 0.0 108.542 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.517 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.7 t -137.81 166.52 23.79 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.988 -1.07 . . . . 0.0 110.425 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 87.1 tttt -59.88 -39.9 86.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.644 -0.66 . . . . 0.0 111.036 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HZ1' ' CD ' ' A' ' 22' ' ' GLU . 13.6 tmtt? -75.98 -34.54 59.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.814 -1.179 . . . . 0.0 110.412 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 29' ' ' SER . 58.6 mt-10 -61.84 -49.95 74.23 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 111.392 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.3 -32.25 72.25 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.554 -0.717 . . . . 0.0 109.855 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 51.4 tttm -62.22 -39.92 94.39 Favored 'General case' 0 C--O 1.192 -1.926 0 O-C-N 121.018 -1.051 . . . . 0.0 109.787 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.41 96.5 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.65 -1.281 . . . . 0.0 110.137 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.9 -40.1 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.406 -0.809 . . . . 0.0 110.702 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.9 mt -73.82 -41.14 62.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.027 -1.046 . . . . 0.0 110.793 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.9 mt-30 -69.96 -25.23 63.53 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 p -82.49 -55.3 4.57 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.209 -0.932 . . . . 0.0 112.223 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.5 mt-10 -111.31 -29.82 7.67 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.888 -1.132 . . . . 0.0 113.233 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.03 23.28 14.55 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 120.81 -1.181 . . . . 0.0 110.586 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 37' ' ' LEU . 21.7 p -60.13 -40.24 89.09 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 m -62.23 -45.9 91.25 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.022 -1.049 . . . . 0.0 111.255 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -76.53 -68.79 0.56 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.004 -1.06 . . . . 0.0 110.341 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.7 mp -81.74 94.06 6.93 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 35.7 p-10 -59.64 83.06 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.113 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -95.34 -14.73 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.539 -0.726 . . . . 0.0 109.911 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.0 -67.49 0.76 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.021 -1.049 . . . . 0.0 112.529 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.78 -47.84 84.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 110.501 -176.396 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' ALA . 82.6 m-20 -94.34 78.69 3.92 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.115 -1.616 . . . . 0.0 109.29 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.49 42.4 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.04 -20.68 63.23 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -31.54 72.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.64 -31.34 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.683 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.3 m-20 -66.42 -40.01 89.31 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.917 -1.114 . . . . 0.0 108.985 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.513 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -41.01 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.5 ptm -82.47 -31.93 29.14 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 111.069 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.04 -39.94 91.72 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 122.571 1.177 . . . . 0.0 108.774 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.76 -40.12 94.02 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.24 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -106.39 -24.44 12.24 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.092 -1.005 . . . . 0.0 111.155 -178.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 6.9 t0 -82.81 50.53 1.71 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.442 -1.411 . . . . 0.0 108.039 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -60.24 -10.59 4.76 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 62' ' ' ASP . 76.2 m-20 -74.35 -11.56 60.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.97 24.12 33.58 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 68' ' ' GLU . 22.9 p-10 -91.18 -0.13 57.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.689 -0.889 . . . . 0.0 110.533 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.51 9.94 5.35 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.2 mt-10 -132.18 139.88 48.53 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' A' ' 71' ' ' PHE . 43.3 t -109.4 137.46 41.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-O 121.385 0.612 . . . . 0.0 110.362 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 72' ' ' GLN . 37.5 t0 -72.84 17.73 0.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 36.5 t80 61.65 -50.75 0.13 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 122.075 -0.391 . . . . 0.0 111.131 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 tm0? -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.476 -1.39 . . . . 0.0 108.427 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.106 -0.996 . . . . 0.0 108.635 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.02 -44.88 94.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.681 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -39.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.782 -1.199 . . . . 0.0 111.342 -177.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.4 m -72.29 -37.45 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.3 -1.5 . . . . 0.0 111.63 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -56.53 14.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.83 -1.169 . . . . 0.0 111.179 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.1 m -74.86 -21.92 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.845 -0.535 . . . . 0.0 111.588 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -46.5 69.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.728 -1.232 . . . . 0.0 109.393 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.78 75.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.355 -0.841 . . . . 0.0 110.944 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.2 -47.74 75.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.891 -1.13 . . . . 0.0 111.981 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.519 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 12.1 t -74.14 -41.78 61.0 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.95 -1.094 . . . . 0.0 111.635 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.407 ' N ' ' CG2' ' A' ' 82' ' ' THR . 49.5 t -60.67 -44.91 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.099 -1.001 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.383 -0.823 . . . . 0.0 109.784 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.94 -40.03 87.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.321 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.012 -1.055 . . . . 0.0 109.829 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.315 -0.865 . . . . 0.0 110.591 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.041 -1.037 . . . . 0.0 109.965 -179.65 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 6' ' ' THR . 51.5 m . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.432 0.634 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.02 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.857 . . . . 0.0 109.227 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.65 -40.01 64.05 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.85 -39.94 95.93 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 2' ' ' SER . 21.1 m -63.91 -21.05 66.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.75 78.84 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 122.013 0.911 . . . . 0.0 109.049 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 56.0 ttp -75.19 -39.85 59.84 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.127 -0.983 . . . . 0.0 110.891 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -29.84 65.83 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.399 -0.813 . . . . 0.0 111.181 -177.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -78.51 -46.46 19.52 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 121.063 -1.023 . . . . 0.0 111.805 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.37 -27.06 65.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.342 -1.474 . . . . 0.0 108.942 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.36 -35.47 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 110.211 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -72.09 -41.26 67.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.3 -33.15 58.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.7 t80 -60.76 -40.05 91.02 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 16' ' ' HIS . 40.1 t-80 -87.16 -6.82 58.49 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.37 23.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.809 -1.182 . . . . 0.0 110.756 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.27 -32.24 6.81 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.049 -1.032 . . . . 0.0 110.749 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -63.2 -39.92 96.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.154 -0.966 . . . . 0.0 111.264 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -4.57 90.27 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.936 -1.126 . . . . 0.0 110.691 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -78.98 -26.28 43.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.898 -1.354 . . . . 0.0 108.497 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -89.49 -2.75 58.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.56 -0.712 . . . . 0.0 110.156 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 90.53 -33.29 4.64 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.9 m-20 -70.79 59.6 0.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' GLY . 4.1 ttpm? -78.32 -16.82 57.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.56 -177.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.47 -14.44 40.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.828 -1.17 . . . . 0.0 109.254 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' B' ' 24' ' ' ASP . 2.7 ttmp? -153.71 155.08 35.29 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 tp -84.75 169.97 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.1 . . . . 0.0 108.668 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 36.4 t -137.25 167.11 22.22 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.001 -1.062 . . . . 0.0 110.475 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 87.1 tttt -60.04 -40.0 87.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.614 -0.679 . . . . 0.0 110.99 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -76.57 -34.1 58.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.857 -1.152 . . . . 0.0 110.536 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 29' ' ' SER . 58.9 mt-10 -62.08 -49.95 73.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 111.299 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.5 -31.94 71.57 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.353 -0.842 . . . . 0.0 109.916 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 51.9 tttm -62.36 -39.92 94.73 Favored 'General case' 0 C--O 1.193 -1.92 0 O-C-N 121.131 -0.981 . . . . 0.0 109.783 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.01 -39.93 95.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.626 -1.297 . . . . 0.0 110.297 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.33 -40.02 94.99 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 110.685 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.3 mt -73.74 -41.15 62.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.91 -1.119 . . . . 0.0 110.85 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.518 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.7 mt-30 -70.05 -24.98 63.35 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 12.7 p -82.96 -54.72 4.86 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.196 -0.94 . . . . 0.0 112.262 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.8 mt-10 -111.52 -29.95 7.56 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.895 -1.128 . . . . 0.0 113.208 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.02 23.2 14.66 Favored 'General case' 0 N--CA 1.516 2.875 0 O-C-N 120.806 -1.184 . . . . 0.0 110.556 -177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 37' ' ' LEU . 24.8 p -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.165 -0.959 . . . . 0.0 110.611 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 57.8 m -62.82 -45.14 93.99 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 111.265 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.02 -68.86 0.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.8 mp -81.76 94.12 6.95 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 35.7 p-10 -59.81 83.12 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.99 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -95.48 -14.52 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.556 -0.715 . . . . 0.0 109.88 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.04 -67.78 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 112.508 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.456 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.4 -47.98 83.4 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.395 -0.816 . . . . 0.0 110.502 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.6 m-20 -94.29 78.55 3.95 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.237 -1.539 . . . . 0.0 109.465 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.57 41.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.06 -20.26 63.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -66.46 -30.99 71.46 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -31.21 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.664 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 97.9 m-20 -66.65 -39.87 88.43 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.973 -1.079 . . . . 0.0 108.82 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -70.21 -39.96 74.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -40.79 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.219 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.459 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.2 ptm -82.75 -31.49 28.34 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.239 -0.913 . . . . 0.0 111.105 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.12 -40.05 92.33 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 122.569 1.176 . . . . 0.0 108.745 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.73 -40.01 93.57 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.273 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -106.75 -24.23 12.16 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.154 -0.966 . . . . 0.0 111.146 -178.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.519 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 7.0 t0 -83.03 50.5 1.74 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.456 -1.402 . . . . 0.0 107.977 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.03 -10.81 4.65 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' B' ' 62' ' ' ASP . 76.2 m-20 -74.49 -11.35 60.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.13 0.491 . . . . 0.0 109.68 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.63 24.67 32.98 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 23.1 p-10 -91.23 -0.43 57.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.666 -0.902 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.15 5.61 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' B' ' 66' ' ' ASP . 43.2 mt-10 -132.4 139.96 48.28 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 71' ' ' PHE . 44.2 t -109.34 137.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 121.422 0.63 . . . . 0.0 110.463 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 72' ' ' GLN . 36.1 t0 -73.05 17.58 0.12 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 36.5 t80 61.44 -50.63 0.13 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.027 -0.421 . . . . 0.0 111.272 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' B' ' 70' ' ' ASP . 1.6 tm0? -59.99 -40.01 87.7 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.369 -1.457 . . . . 0.0 108.363 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.99 -40.38 88.98 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.121 -0.987 . . . . 0.0 108.561 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.05 -44.58 94.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.568 -0.707 . . . . 0.0 111.716 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -40.7 83.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.748 -1.22 . . . . 0.0 111.125 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 m -71.43 -37.72 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 111.784 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -56.6 13.8 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.772 -1.205 . . . . 0.0 111.181 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.73 -21.53 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.82 -0.55 . . . . 0.0 111.638 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.74 68.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.71 -1.244 . . . . 0.0 109.348 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.46 75.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.0 -48.37 74.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.884 -1.135 . . . . 0.0 111.885 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.502 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 11.6 t -73.45 -42.82 61.47 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.924 -1.11 . . . . 0.0 111.486 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' B' ' 82' ' ' THR . 46.9 t -60.11 -44.8 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.08 -1.013 . . . . 0.0 109.223 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.05 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.496 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -40.09 87.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.05 -1.031 . . . . 0.0 110.227 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.67 -40.16 92.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.037 -1.039 . . . . 0.0 109.951 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.24 -39.98 94.62 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.326 -0.859 . . . . 0.0 110.668 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 -179.628 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 121.282 0.563 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.01 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 0.0 109.476 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.534 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.3 tt -70.64 -37.32 73.73 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.22 -40.07 92.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.684 0.754 . . . . 0.0 109.046 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 m -65.37 -20.96 66.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.07 -40.04 71.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.259 -0.9 . . . . 0.0 109.022 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 ttt -71.02 -39.98 72.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.391 -0.818 . . . . 0.0 110.595 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.9 pt-20 -70.41 -34.47 72.55 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 -177.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.4 t -79.06 -52.82 7.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.194 -0.941 . . . . 0.0 112.819 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.29 -26.67 67.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 119.988 -1.695 . . . . 0.0 108.715 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.51 -33.6 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.708 -1.245 . . . . 0.0 109.865 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 88.8 m-20 -70.01 -44.32 69.58 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.331 -0.856 . . . . 0.0 110.891 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.97 -33.74 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' OG ' ' A' ' 19' ' ' SER . 41.6 t80 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.128 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -88.01 -10.38 50.52 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.57 -40.01 61.91 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.425 -0.797 . . . . 0.0 109.322 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -101.2 -34.67 9.58 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.474 -0.767 . . . . 0.0 111.031 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 65.2 m -59.88 -40.01 87.23 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.638 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.17 4.07 84.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -88.69 -20.97 24.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.512 -0.993 . . . . 0.0 109.615 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.95 -1.23 37.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.324 -0.86 . . . . 0.0 110.929 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.95 -13.64 64.06 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 27' ' ' LYS . 97.2 m-20 -85.14 37.3 0.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' GLY . 7.1 ttmm -51.41 -20.04 1.62 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.505 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -94.36 -14.51 25.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.658 -1.276 . . . . 0.0 110.641 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 24' ' ' ASP . 13.1 ttmt -149.92 151.81 34.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.003 -1.06 . . . . 0.0 109.136 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -79.72 163.1 24.77 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 28.7 t -135.16 164.46 27.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.893 -1.129 . . . . 0.0 110.431 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -58.87 -40.02 83.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.545 -0.722 . . . . 0.0 111.358 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -74.75 -29.91 61.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.641 -1.287 . . . . 0.0 110.377 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 81.4 mt-10 -65.9 -50.67 63.63 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.144 -0.972 . . . . 0.0 111.312 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.36 71.5 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.05 -1.032 . . . . 0.0 109.709 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 33.5 tptt -59.99 -40.14 88.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.338 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.476 ' O ' ' CG2' ' A' ' 39' ' ' THR . 98.5 m-20 -70.97 -40.08 72.16 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.38 -0.825 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.0 mt -62.16 -41.35 98.22 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.021 -1.049 . . . . 0.0 111.854 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.7 -41.68 26.28 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.785 -1.197 . . . . 0.0 111.215 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' C ' HE21 ' A' ' 38' ' ' GLN . 0.1 OUTLIER -72.82 -10.06 59.37 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.436 -0.79 . . . . 0.0 109.113 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 1.1 p -81.83 -60.72 2.14 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.672 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.9 mt-10 -111.31 -29.84 7.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.269 -0.894 . . . . 0.0 111.641 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.76 26.25 10.25 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 120.884 -1.135 . . . . 0.0 110.313 -177.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -59.97 -45.97 90.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.059 -1.025 . . . . 0.0 111.318 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.9 t -69.97 -39.82 75.74 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 111.916 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.82 -66.72 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.637 -1.289 . . . . 0.0 110.172 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -81.31 97.78 7.84 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.406 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 93.2 m-20 -56.61 140.21 47.51 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.507 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 2.9 p -169.43 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 120.92 -1.113 . . . . 0.0 110.259 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' H ' ' CG1' ' A' ' 47' ' ' VAL . 6.6 pt20 -60.54 -46.11 91.4 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.317 -0.865 . . . . 0.0 110.705 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 46.9 pttt -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.965 -1.084 . . . . 0.0 109.72 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -104.1 82.26 1.94 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.188 -0.945 . . . . 0.0 108.935 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.994 -1.066 . . . . 0.0 108.176 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -60.02 -35.71 75.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.06 69.53 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.458 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -28.77 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.009 -1.057 . . . . 0.0 109.486 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.67 -40.01 80.35 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.819 -1.176 . . . . 0.0 108.847 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -70.15 -40.04 75.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 122.009 0.909 . . . . 0.0 109.41 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -37.37 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.3 mmm -73.8 -31.45 63.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 0.0 109.598 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.54 -40.07 81.98 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.758 -0.589 . . . . 0.0 109.938 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.98 -25.19 63.5 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 108.855 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.4 mp -89.98 -77.59 0.39 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.765 0.793 . . . . 0.0 110.871 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 83.0 m-20 -73.02 38.43 0.09 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.348 0.594 . . . . 0.0 110.304 -177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.2 pt-20 -62.32 -13.94 34.12 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -81.29 2.21 29.12 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.775 -0.578 . . . . 0.0 111.273 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.31 43.05 13.64 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.634 ' C ' ' H ' ' A' ' 68' ' ' GLU . 18.2 p-10 -140.88 96.25 2.98 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.28 25.12 0.01 OUTLIER Glycine 0 N--CA 1.506 3.315 0 O-C-N 121.925 -0.484 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.634 ' H ' ' C ' ' A' ' 66' ' ' ASP . 44.1 mp0 -129.76 133.78 47.21 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' C ' ' H ' ' A' ' 71' ' ' PHE . 8.3 t -100.98 144.33 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.498 -0.751 . . . . 0.0 111.097 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.606 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 96.0 m-20 -74.68 21.35 0.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 14.3 p90 56.36 -39.22 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.079 0.552 . . . . 0.0 112.229 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' ASP . 14.3 pt20 -69.94 -34.19 73.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.285 -1.509 . . . . 0.0 108.456 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -60.94 -40.05 91.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.13 -0.982 . . . . 0.0 108.609 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -69.17 -40.33 78.21 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -60.09 -39.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 O-C-N 120.238 -1.539 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.87 -38.73 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.855 -1.153 . . . . 0.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.92 -56.91 15.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.175 -0.953 . . . . 0.0 112.624 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.07 -21.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 O-C-N 121.734 -0.603 . . . . 0.0 111.372 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.62 67.54 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 109.68 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.17 53.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.0 111.694 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.98 -40.01 90.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.046 . . . . 0.0 110.461 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 94.6 m -63.4 -43.01 98.75 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 122.124 0.964 . . . . 0.0 109.75 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.61 -40.01 85.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.434 0.635 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.89 96.49 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.454 -0.779 . . . . 0.0 111.38 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 82' ' ' THR . 15.2 p -62.16 -39.92 94.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.804 -1.185 . . . . 0.0 110.586 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 40.6 t30 -60.24 -40.47 90.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.032 -1.042 . . . . 0.0 110.378 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.43 -28.63 65.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.064 -1.023 . . . . 0.0 109.706 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.94 -44.45 94.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.497 1.899 0 CA-C-O 121.276 0.56 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -60.09 -49.91 75.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -0.919 . . . . 0.0 109.401 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.543 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 2.5 tt -70.78 -37.29 73.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.43 -39.89 92.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.511 -0.743 . . . . 0.0 109.119 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.7 m -65.3 -20.94 66.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.0 71.69 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 108.975 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.7 -40.06 73.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 110.475 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.2 pt-20 -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.506 -0.747 . . . . 0.0 111.541 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -78.91 -52.66 7.98 Favored 'General case' 0 C--O 1.202 -1.424 0 O-C-N 121.196 -0.94 . . . . 0.0 112.8 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.37 -26.8 68.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.917 -1.739 . . . . 0.0 108.625 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.41 -33.49 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.699 -1.251 . . . . 0.0 109.843 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 90.0 m-20 -70.28 -44.02 69.26 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.168 -0.957 . . . . 0.0 111.002 -178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.93 -33.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' OG ' ' B' ' 19' ' ' SER . 41.7 t80 -60.09 -39.95 87.88 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.182 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -88.03 -10.45 50.25 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.07 61.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.508 -0.745 . . . . 0.0 109.266 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -101.09 -34.51 9.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.382 -0.824 . . . . 0.0 111.156 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 67.8 m -60.12 -40.01 88.21 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.328 -0.857 . . . . 0.0 110.552 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.23 84.52 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -88.77 -21.16 23.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -1.013 . . . . 0.0 109.635 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.89 -1.16 38.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.286 -0.884 . . . . 0.0 110.937 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 90.05 -13.51 64.57 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 27' ' ' LYS . 97.3 m-20 -85.15 37.01 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' B' ' 23' ' ' GLY . 6.5 ttmm -51.16 -19.98 1.36 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.508 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -94.49 -14.67 24.9 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.712 -1.243 . . . . 0.0 110.586 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 24' ' ' ASP . 12.4 ttmt -149.84 151.48 33.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.88 -1.138 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.42 162.89 25.21 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 29.8 t -134.03 165.73 24.37 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.961 -1.087 . . . . 0.0 110.445 -178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -59.95 -40.02 87.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.6 -0.687 . . . . 0.0 111.293 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -74.83 -30.02 61.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.682 -1.261 . . . . 0.0 110.393 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 81.3 mt-10 -65.8 -50.78 63.44 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.216 -0.927 . . . . 0.0 111.313 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -30.66 71.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.675 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 35.5 tptt -59.93 -39.91 87.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 109.587 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' B' ' 39' ' ' THR . 98.4 m-20 -71.01 -39.71 72.22 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.47 -0.769 . . . . 0.0 111.047 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.2 mt -62.97 -41.18 99.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.011 -1.055 . . . . 0.0 111.71 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.66 -41.79 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.648 -1.283 . . . . 0.0 111.265 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.452 HE21 ' N ' ' B' ' 39' ' ' THR . 0.1 OUTLIER -72.62 -10.13 59.42 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-O 121.727 0.775 . . . . 0.0 109.093 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 1.1 p -81.81 -60.65 2.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.439 -0.788 . . . . 0.0 110.684 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.1 mt-10 -111.28 -30.05 7.58 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.251 -0.905 . . . . 0.0 111.558 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.4 25.74 10.73 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 120.819 -1.175 . . . . 0.0 110.271 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -60.0 -45.51 92.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 111.423 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.0 t -70.31 -39.94 74.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 111.89 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.7 -66.32 0.83 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.683 -1.26 . . . . 0.0 110.272 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -81.81 97.72 8.13 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -56.45 140.03 47.19 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 3.1 p -169.32 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.961 -1.087 . . . . 0.0 110.239 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.56 -46.13 91.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.782 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -69.98 -39.95 75.64 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.873 -1.142 . . . . 0.0 109.728 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -104.06 81.91 1.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.161 -0.962 . . . . 0.0 109.143 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -28.04 67.36 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.018 -1.051 . . . . 0.0 108.173 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -35.63 75.65 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -31.54 69.73 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -28.65 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.021 -1.049 . . . . 0.0 109.565 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -68.76 -39.99 80.0 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 120.94 -1.1 . . . . 0.0 108.833 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -70.13 -40.19 74.96 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.959 0.885 . . . . 0.0 109.47 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -37.01 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mmm -73.86 -31.44 63.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.852 . . . . 0.0 109.503 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -58.64 -40.17 82.66 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.745 -0.597 . . . . 0.0 109.961 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.04 -25.08 63.39 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.275 -0.891 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' B' ' 63' ' ' GLU . 5.2 mp -89.99 -77.55 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.793 0.806 . . . . 0.0 110.797 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 84.7 m-20 -72.99 38.29 0.08 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.391 0.615 . . . . 0.0 110.304 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' B' ' 61' ' ' LEU . 20.1 pt-20 -62.35 -13.55 30.21 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -81.55 2.07 30.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.915 -0.49 . . . . 0.0 111.216 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.43 43.03 13.25 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.638 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.3 p-10 -140.8 96.41 3.01 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.52 25.29 0.01 OUTLIER Glycine 0 N--CA 1.504 3.231 0 O-C-N 121.844 -0.535 . . . . 0.0 112.146 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.7 mp0 -130.04 133.64 46.86 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.572 ' C ' ' H ' ' B' ' 71' ' ' PHE . 7.7 t -100.8 144.42 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.476 -0.765 . . . . 0.0 111.094 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.608 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 95.4 m-20 -74.76 21.38 0.11 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 14.3 p90 56.21 -39.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.059 0.544 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 70' ' ' ASP . 14.3 pt20 -69.92 -34.27 73.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.287 -1.508 . . . . 0.0 108.56 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.82 -40.01 91.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.198 -0.939 . . . . 0.0 108.494 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -69.56 -40.03 77.04 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.98 -40.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.195 -1.565 . . . . 0.0 109.583 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -38.86 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.038 -1.039 . . . . 0.0 110.229 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.05 -56.78 17.4 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.33 -0.856 . . . . 0.0 112.677 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.19 -21.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.686 -0.634 . . . . 0.0 111.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.66 67.56 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.9 -45.2 52.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 111.743 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.67 -40.02 91.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.036 -1.04 . . . . 0.0 110.457 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 94.8 m -63.49 -43.06 98.36 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 122.074 0.94 . . . . 0.0 109.749 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.44 -40.0 84.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-O 121.462 0.648 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.49 95.88 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 111.512 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 15.5 p -62.22 -40.14 95.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.869 -1.145 . . . . 0.0 110.475 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.497 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 t30 -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.964 -1.085 . . . . 0.0 110.446 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -70.38 -28.58 65.21 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.045 -1.034 . . . . 0.0 109.742 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -44.21 94.79 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.158 -0.963 . . . . 0.0 110.03 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.53 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.6 p . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.14 -48.15 82.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.151 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -73.1 -38.64 66.3 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.099 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.3 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.6 m -64.23 -22.98 67.14 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.01 89.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.116 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mtm -79.46 -32.89 42.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.732 -1.23 . . . . 0.0 110.964 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.81 -33.92 71.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.2 -0.937 . . . . 0.0 110.466 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 t -76.88 -43.89 34.14 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.419 -0.801 . . . . 0.0 111.762 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.32 -27.74 61.69 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.189 -1.569 . . . . 0.0 109.588 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.07 -37.95 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.807 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -70.01 -39.94 75.55 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.955 0.883 . . . . 0.0 109.86 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.31 -29.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -63.47 -40.02 95.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CD2' ' NZ ' ' A' ' 25' ' ' LYS . 56.7 t-80 -81.26 -12.92 58.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -76.3 -38.08 56.57 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.115 -0.991 . . . . 0.0 109.892 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' C ' ' H ' ' A' ' 20' ' ' GLY . 73.2 m80 -119.91 5.54 10.91 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.413 -0.805 . . . . 0.0 111.116 -178.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.439 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 1.2 t -54.19 -8.52 0.2 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.032 -1.043 . . . . 0.0 109.45 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' A' ' 18' ' ' HIS . . . 117.81 38.36 0.83 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 4.6 pttm -57.36 -18.22 16.33 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 12.4 pt-20 -90.49 0.15 57.43 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.556 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' GLY . . . 154.37 162.12 10.94 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.7 t0 49.96 39.41 18.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.972 -1.31 . . . . 0.0 107.92 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 51.9 tptt -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.505 0.669 . . . . 0.0 109.639 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -81.59 -10.05 59.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.269 -0.895 . . . . 0.0 108.906 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -156.87 158.22 36.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.872 . . . . 0.0 109.08 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.64 162.66 26.08 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.0 t -136.83 165.44 25.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.846 -1.159 . . . . 0.0 110.464 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.01 -39.67 86.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.678 -0.639 . . . . 0.0 111.489 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.52 50.95 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.461 -1.399 . . . . 0.0 110.113 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 29' ' ' SER . 79.5 mt-10 -62.77 -48.39 79.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 110.439 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.39 -34.14 67.69 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.346 -0.846 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.11 -37.11 79.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.122 . . . . 0.0 108.567 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' A' ' 39' ' ' THR . 29.8 t0 -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.763 0.792 . . . . 0.0 109.773 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.19 -39.97 93.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.347 -0.846 . . . . 0.0 111.628 -178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -74.55 -43.75 54.27 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.877 -1.139 . . . . 0.0 111.231 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -70.03 -20.6 63.25 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.382 -0.824 . . . . 0.0 109.465 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 3.5 p -80.34 -57.96 3.36 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.222 -0.924 . . . . 0.0 111.823 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 5.5 mt-10 -112.22 -29.48 7.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.393 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -110.04 25.73 11.46 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 120.958 -1.089 . . . . 0.0 110.431 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LEU . 10.2 p -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.992 -1.067 . . . . 0.0 111.33 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -68.15 -40.04 82.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 111.826 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.65 -68.86 0.61 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.799 -1.188 . . . . 0.0 109.826 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.57 97.65 7.28 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' CE ' ' A' ' 49' ' ' LYS . 78.1 m-20 -59.39 134.29 56.87 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.44 -38.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.011 -1.056 . . . . 0.0 109.976 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.84 -59.59 3.4 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.81 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' CG ' ' A' ' 46' ' ' ASP . 33.1 pttt -64.75 -43.27 93.85 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.2 m-20 -98.49 72.69 2.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.393 -1.442 . . . . 0.0 109.234 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.64 -19.74 2.57 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.797 -1.189 . . . . 0.0 108.004 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 50' ' ' ASP . 11.1 p-10 -73.64 -26.38 60.74 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.55 -36.35 82.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.815 -0.553 . . . . 0.0 109.658 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.28 -25.72 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.05 -40.0 75.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.648 -1.282 . . . . 0.0 108.412 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -70.07 -38.23 75.68 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.055 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.93 66.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.5 mmm -70.94 -32.83 69.83 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.072 0.939 . . . . 0.0 108.779 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -60.03 -45.89 91.29 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.581 0.705 . . . . 0.0 109.627 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.96 -39.25 69.51 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.988 0.899 . . . . 0.0 108.987 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.29 -79.74 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.564 0.697 . . . . 0.0 109.321 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 62.4 t0 -77.63 60.77 2.23 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.33 -13.73 1.52 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.5 t30 -79.24 -15.96 57.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.3 27.34 73.75 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 2.6 p30 -87.1 -5.33 59.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.147 -1.208 . . . . 0.0 109.91 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 75.85 0.49 64.47 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.564 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 40.6 mt-10 -127.87 145.46 50.94 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.369 -1.077 . . . . 0.0 108.721 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 t -113.81 149.88 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.745 0.783 . . . . 0.0 110.397 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -93.58 19.99 7.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.357 -0.839 . . . . 0.0 109.179 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 57.1 t80 66.75 -44.68 0.44 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 122.202 -0.311 . . . . 0.0 111.213 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.79 -38.6 91.72 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.365 -1.459 . . . . 0.0 109.212 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.93 -39.95 87.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.768 -1.208 . . . . 0.0 109.02 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 34.6 t80 -67.85 -40.12 83.73 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.67 -40.07 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.669 -1.269 . . . . 0.0 112.526 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.06 -40.11 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.341 -1.475 . . . . 0.0 111.277 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -65.35 -56.0 15.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 111.628 -176.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.52 -22.11 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.263 -0.898 . . . . 0.0 111.057 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.4 71.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.027 -1.045 . . . . 0.0 109.0 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.1 91.89 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.56 -0.713 . . . . 0.0 111.591 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.46 -50.04 75.16 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.652 -1.28 . . . . 0.0 111.305 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.0 m -64.15 -40.02 95.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.011 -1.055 . . . . 0.0 111.056 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.93 -44.03 93.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.288 -0.883 . . . . 0.0 109.721 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.6 82.81 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.075 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.3 m -59.92 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -59.94 -40.08 87.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.838 -1.164 . . . . 0.0 109.187 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.86 -20.96 61.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.147 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 109.307 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.452 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.1 p . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.92 -48.36 82.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -73.01 -38.4 66.61 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.59 -40.04 94.81 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.452 ' N ' ' O ' ' B' ' 2' ' ' SER . 20.7 m -64.16 -23.05 67.18 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.79 89.49 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.531 -0.73 . . . . 0.0 110.16 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtm -79.45 -33.12 42.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.405 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.4 pt-20 -70.61 -33.82 71.45 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 110.48 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.9 t -76.98 -43.96 32.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.495 -0.753 . . . . 0.0 111.786 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.43 -27.48 61.46 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.236 -1.54 . . . . 0.0 109.447 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.41 -37.74 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.044 -1.035 . . . . 0.0 109.964 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.1 m-20 -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.0 0.905 . . . . 0.0 109.936 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.22 -28.84 26.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 24.5 t80 -63.91 -40.04 95.58 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.681 ' CG ' ' HZ2' ' B' ' 25' ' ' LYS . 56.1 t-80 -81.21 -13.08 58.93 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.488 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . . . -76.63 -37.57 56.12 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.043 -1.036 . . . . 0.0 109.918 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 20' ' ' GLY . 73.4 m80 -119.68 5.32 11.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.2 t -54.03 -8.91 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.097 -1.002 . . . . 0.0 109.393 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 18' ' ' HIS . . . 117.96 38.95 0.78 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' B' ' 17' ' ' ALA . 4.2 pttm -57.95 -17.96 20.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' B' ' 20' ' ' GLY . 12.4 pt-20 -90.68 -0.06 57.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.453 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' B' ' 20' ' ' GLY . . . 154.78 162.14 11.01 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.0 t0 49.98 39.42 18.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.964 -1.315 . . . . 0.0 107.792 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.681 ' HZ2' ' CG ' ' B' ' 16' ' ' HIS . 51.4 tptt -79.67 -10.03 59.73 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.593 0.711 . . . . 0.0 109.623 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -81.63 -10.09 59.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 108.986 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -156.92 158.08 36.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.395 -0.815 . . . . 0.0 108.982 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -78.37 162.63 26.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 16.8 t -136.38 165.85 24.83 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.837 -1.164 . . . . 0.0 110.537 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.438 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 77.1 tttt -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.716 -0.615 . . . . 0.0 111.693 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -30.69 49.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.542 -1.349 . . . . 0.0 110.081 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 29' ' ' SER . 79.3 mt-10 -62.62 -48.38 79.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.456 -0.777 . . . . 0.0 110.488 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.37 -34.17 67.76 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.465 -0.772 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.11 -37.06 78.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 108.617 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.446 ' O ' ' OG1' ' B' ' 39' ' ' THR . 29.1 t0 -64.43 -39.55 94.05 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.692 0.758 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.51 -40.03 92.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' B' ' 42' ' ' SER . 33.4 mt -74.62 -43.8 53.71 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.851 -1.156 . . . . 0.0 111.277 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.77 -20.9 63.47 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.329 -0.857 . . . . 0.0 109.434 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 3.3 p -79.96 -58.03 3.36 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.219 -0.926 . . . . 0.0 111.95 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.6 mt-10 -112.32 -29.48 7.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.069 -1.02 . . . . 0.0 112.373 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.95 25.46 11.76 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 121.005 -1.06 . . . . 0.0 110.489 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 37' ' ' LEU . 10.0 p -60.02 -40.07 88.02 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.981 . . . . 0.0 111.402 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -67.99 -39.98 83.14 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.969 -1.082 . . . . 0.0 111.844 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -78.65 -68.55 0.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.806 -1.183 . . . . 0.0 109.87 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.1 97.7 7.67 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' CE ' ' B' ' 49' ' ' LYS . 77.6 m-20 -59.45 134.11 56.71 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 118.502 -1.279 . . . . 0.0 107.582 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.3 -38.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.97 -1.081 . . . . 0.0 109.946 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.89 -59.22 3.71 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.865 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.406 ' CE ' ' CG ' ' B' ' 46' ' ' ASP . 33.9 pttt -65.33 -42.78 92.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.662 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.5 m-20 -98.78 72.68 1.98 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.544 -1.348 . . . . 0.0 109.329 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.92 -19.5 2.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.755 -1.216 . . . . 0.0 107.887 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.577 ' C ' ' HZ2' ' B' ' 56' ' ' LYS . 11.0 p-10 -73.62 -26.83 60.97 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.34 -38.73 87.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.699 -0.626 . . . . 0.0 109.34 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.56 -25.51 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.371 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.438 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.2 m-20 -70.38 -39.88 74.28 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.614 -1.304 . . . . 0.0 108.417 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.577 ' HZ2' ' C ' ' B' ' 52' ' ' ASP . 33.5 mtmm -70.0 -38.32 75.92 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.886 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.82 65.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mmm -70.72 -32.91 70.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.127 0.965 . . . . 0.0 108.8 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -60.01 -45.75 91.73 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.672 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.11 -39.32 68.97 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.928 0.87 . . . . 0.0 108.957 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.02 -79.81 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.619 0.723 . . . . 0.0 109.384 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 63.3 t0 -77.7 60.91 2.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.42 -13.71 1.59 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' B' ' 62' ' ' ASP . 59.9 t30 -79.22 -15.83 57.44 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.2 27.2 73.98 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 2.6 p30 -87.0 -5.35 59.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.047 -1.266 . . . . 0.0 109.998 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.68 1.08 65.32 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 40.4 mt-10 -128.12 145.72 50.92 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.405 -1.056 . . . . 0.0 108.643 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -114.1 149.99 16.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-O 121.574 0.702 . . . . 0.0 110.456 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -93.83 20.05 8.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 56.3 t80 66.72 -44.88 0.44 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 122.237 -0.289 . . . . 0.0 111.188 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.58 -38.71 92.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.387 -1.446 . . . . 0.0 109.2 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.781 -1.199 . . . . 0.0 108.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 33.9 t80 -67.64 -39.92 84.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -177.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.54 -40.98 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.585 -1.322 . . . . 0.0 112.375 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -69.45 -40.0 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.683 -1.261 . . . . 0.0 111.227 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -65.58 -56.11 14.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.171 -0.956 . . . . 0.0 111.794 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.49 -22.18 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.26 -0.9 . . . . 0.0 111.031 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -50.6 70.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 108.957 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.0 91.81 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.466 -0.772 . . . . 0.0 111.626 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.27 -50.02 75.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.632 -1.292 . . . . 0.0 111.389 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.0 m -64.16 -40.14 95.49 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 110.865 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.03 -43.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.33 -0.856 . . . . 0.0 109.707 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.33 83.01 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.644 -0.66 . . . . 0.0 109.938 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.005 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -60.04 -40.08 88.13 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.785 -1.197 . . . . 0.0 109.066 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.08 -20.89 61.59 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.188 -0.945 . . . . 0.0 109.228 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.35 -39.94 88.92 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.461 -0.774 . . . . 0.0 109.303 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.485 1.318 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 -179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 3' ' ' GLU . 28.9 t . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.783 0.801 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 12.4 mm-40 -101.64 -58.01 1.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.609 0.718 . . . . 0.0 112.187 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.3 88.9 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.81 -177.386 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -64.91 -40.03 94.43 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.671 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -62.93 -21.76 66.28 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.492 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.66 -35.33 75.07 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.654 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtt -81.54 -34.7 30.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.796 -1.19 . . . . 0.0 110.152 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.11 -28.11 65.13 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 122.495 1.141 . . . . 0.0 108.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -69.72 -58.0 4.44 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.625 -177.501 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.37 -26.98 63.03 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.117 -178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.95 -38.64 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.797 -1.189 . . . . 0.0 109.673 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -70.69 -40.01 73.15 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.878 0.847 . . . . 0.0 110.019 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -29.22 29.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 16.2 t80 -64.3 -40.05 95.16 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -87.84 -6.72 57.97 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.56 28.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.841 -1.162 . . . . 0.0 110.124 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -109.25 -30.18 8.13 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.355 -0.841 . . . . 0.0 111.083 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 96.6 p -60.93 -17.03 48.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.074 -1.016 . . . . 0.0 110.987 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.54 21.43 3.42 Favored Glycine 0 N--CA 1.502 3.043 0 O-C-N 120.947 -1.096 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -72.44 -27.37 62.28 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.155 -1.203 . . . . 0.0 108.199 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 98.9 mt-10 -108.28 -24.95 11.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.778 -0.576 . . . . 0.0 111.06 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.13 -162.52 21.89 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 49.9 37.89 14.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.011 -1.288 . . . . 0.0 108.28 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -81.17 6.01 15.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.726 -0.609 . . . . 0.0 110.317 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -71.05 -18.48 62.56 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -158.3 160.33 36.9 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.2 tp -82.15 168.69 17.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.638 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 24.9 m -137.46 166.58 23.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.873 -1.142 . . . . 0.0 110.264 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.382 -0.824 . . . . 0.0 111.936 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.52 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -74.98 -29.97 61.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.457 -1.402 . . . . 0.0 110.579 -177.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 29' ' ' SER . 47.7 mt-10 -64.7 -51.01 64.68 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.221 -0.925 . . . . 0.0 111.476 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.472 -0.767 . . . . 0.0 111.705 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HZ2' ' NE2' ' A' ' 38' ' ' GLN . 45.1 tttm -60.68 -40.07 90.8 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 109.81 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 57.6 t0 -63.14 -40.03 96.4 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.168 -0.957 . . . . 0.0 109.596 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.89 -39.71 86.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.67 . . . . 0.0 111.009 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.485 -1.385 . . . . 0.0 110.385 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.688 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 94.3 mt-30 -63.18 -38.97 93.28 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.268 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -49.77 18.72 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.384 -1.447 . . . . 0.0 113.208 -177.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 14.9 mt-10 -109.36 -28.55 8.9 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.624 -1.298 . . . . 0.0 113.153 -176.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -111.25 25.6 11.56 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.786 -1.196 . . . . 0.0 111.387 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 p -60.13 -47.31 86.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.519 -1.363 . . . . 0.0 111.407 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.5 m -62.84 -40.08 96.32 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.886 -1.134 . . . . 0.0 111.318 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -79.49 -69.98 0.54 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.679 -1.263 . . . . 0.0 110.228 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.85 96.27 8.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.97 98.0 0.05 Allowed 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.386 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.05 -18.21 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -79.88 -70.02 0.54 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 112.928 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -57.61 -47.15 82.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.892 -1.13 . . . . 0.0 110.297 -176.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ALA . 95.7 m-20 -94.71 76.63 3.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.462 -1.399 . . . . 0.0 109.075 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -23.64 41.43 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -66.06 -35.46 80.6 Favored 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -55.31 -27.44 46.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -28.06 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.029 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.66 -40.01 73.27 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.755 -1.216 . . . . 0.0 108.04 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 2.9 mptp? -67.89 -40.34 83.52 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.94 0.876 . . . . 0.0 109.937 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.37 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.2 mmm -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.623 0.725 . . . . 0.0 110.148 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -59.99 -39.92 87.4 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -64.65 -39.0 92.93 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 61' ' ' LEU . 6.6 mp -78.04 -67.66 0.71 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.527 -0.733 . . . . 0.0 109.38 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.1 m-20 -80.9 40.58 0.54 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.371 -0.831 . . . . 0.0 109.195 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.8 tt0 -51.7 -19.64 1.7 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 19.6 m120 -85.26 -3.0 58.67 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.713 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 71.14 32.05 65.98 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.561 ' C ' ' H ' ' A' ' 68' ' ' GLU . 7.3 m-20 -80.74 -18.11 48.81 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.152 -1.205 . . . . 0.0 110.177 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 -3.51 2.43 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.389 -1.884 . . . . 0.0 108.389 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.4 mt-10 -130.51 150.02 51.92 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 t -119.98 149.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.757 0.789 . . . . 0.0 111.739 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 72' ' ' GLN . 48.5 m-20 -88.99 17.78 5.46 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 78.1 t80 62.92 -37.66 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.235 -0.291 . . . . 0.0 110.47 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' A' ' 70' ' ' ASP . 98.4 mt-30 -67.43 -38.88 85.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.646 -1.284 . . . . 0.0 108.239 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.19 -40.02 88.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 109.074 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.82 -47.14 79.09 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.539 -0.725 . . . . 0.0 112.829 -178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -60.08 -39.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.815 -1.178 . . . . 0.0 111.594 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.22 -39.93 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.527 -1.358 . . . . 0.0 111.123 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.27 -57.18 9.1 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.873 -1.142 . . . . 0.0 111.645 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 m -73.54 -22.45 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.033 -1.042 . . . . 0.0 111.311 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.27 72.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.776 -1.202 . . . . 0.0 109.188 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -39.89 75.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 111.461 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.41 -51.2 69.76 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.922 -1.111 . . . . 0.0 111.072 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.481 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 12.9 t -63.02 -39.15 93.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.056 -1.027 . . . . 0.0 110.547 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.067 -1.02 . . . . 0.0 109.608 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.468 -0.77 . . . . 0.0 111.439 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.2 p -65.2 -40.04 93.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.756 -1.215 . . . . 0.0 109.435 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.517 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 t30 -60.32 -39.88 88.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.492 -0.755 . . . . 0.0 110.402 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -67.55 -36.61 81.3 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 109.017 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.89 -40.38 88.55 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.601 -0.687 . . . . 0.0 110.635 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.426 -0.797 . . . . 0.0 109.995 -178.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' OE2' ' B' ' 3' ' ' GLU . 29.4 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.791 0.805 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.406 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 12.5 mm-40 -101.49 -57.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.552 0.691 . . . . 0.0 112.161 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.526 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.51 89.62 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.562 -0.711 . . . . 0.0 109.721 -177.433 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -64.91 -39.97 94.35 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.769 -1.172 . . . . 0.0 108.677 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . 20.8 m -62.88 -21.64 66.14 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -70.07 -35.2 74.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.603 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.6 mtt -81.6 -34.27 31.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.672 -1.268 . . . . 0.0 110.102 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.29 -28.16 64.98 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 122.481 1.134 . . . . 0.0 108.069 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -69.62 -58.39 3.99 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.739 -177.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.99 -26.58 63.2 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.015 -1.053 . . . . 0.0 111.023 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -71.67 -37.76 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.769 -1.207 . . . . 0.0 109.771 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.39 -40.04 70.79 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.908 0.861 . . . . 0.0 109.954 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -28.75 27.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 16.5 t80 -64.47 -40.03 94.93 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.2 -5.94 58.12 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.62 26.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.87 -1.143 . . . . 0.0 110.054 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.0 -30.3 8.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.233 -0.917 . . . . 0.0 111.046 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 94.0 p -60.68 -17.49 48.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.06 -1.025 . . . . 0.0 110.979 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.21 21.48 3.48 Favored Glycine 0 N--CA 1.503 3.102 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.436 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -72.3 -27.41 62.43 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.192 -1.181 . . . . 0.0 108.28 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -108.31 -24.85 11.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.79 -0.568 . . . . 0.0 111.039 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.8 -162.65 21.64 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 108.315 -1.914 . . . . 0.0 108.315 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 49.99 37.74 14.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.026 -1.279 . . . . 0.0 108.247 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -81.08 5.84 15.43 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.84 -18.91 62.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -158.08 160.07 36.97 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.16 168.73 17.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.803 -1.185 . . . . 0.0 108.548 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.546 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 31.0 m -137.27 166.65 23.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.822 -1.173 . . . . 0.0 110.273 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -59.99 -40.05 87.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.454 -0.779 . . . . 0.0 111.845 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.61 60.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.562 -1.336 . . . . 0.0 110.718 -178.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 29' ' ' SER . 47.7 mt-10 -64.95 -50.95 64.41 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.266 -0.896 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -35.04 76.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.584 -0.698 . . . . 0.0 111.704 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.6 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 45.9 tttm -60.8 -40.46 92.73 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 120.864 -1.147 . . . . 0.0 109.737 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 58.6 t0 -62.74 -40.06 96.05 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.08 -1.013 . . . . 0.0 109.681 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.529 -0.732 . . . . 0.0 111.003 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.0 -40.04 63.21 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 120.531 -1.356 . . . . 0.0 110.383 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.6 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 94.9 mt-30 -63.09 -39.3 94.31 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.293 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -49.57 20.33 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.336 -1.477 . . . . 0.0 113.264 -177.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 15.6 mt-10 -109.12 -29.01 8.75 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.581 -1.324 . . . . 0.0 113.275 -176.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.25 25.84 11.3 Favored 'General case' 0 N--CA 1.52 3.066 0 O-C-N 120.728 -1.232 . . . . 0.0 111.393 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p -59.95 -47.8 84.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.553 -1.342 . . . . 0.0 111.415 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.826 -1.171 . . . . 0.0 111.479 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -79.63 -70.04 0.54 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.843 -1.16 . . . . 0.0 110.301 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.1 96.78 8.49 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.48 98.12 0.06 Allowed 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.6 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -115.12 -17.95 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -80.08 -69.98 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.013 -1.054 . . . . 0.0 113.012 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -47.05 82.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.033 . . . . 0.0 110.341 -177.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.0 m-20 -94.74 76.16 3.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.468 -1.395 . . . . 0.0 109.109 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.98 37.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.03 -35.41 80.47 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -55.59 -26.74 45.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -27.81 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 110.263 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -70.78 -40.04 72.83 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.781 -1.199 . . . . 0.0 108.04 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 2.7 mptp? -67.88 -40.61 83.51 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 122.005 0.907 . . . . 0.0 109.842 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -39.45 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.41 -28.57 62.07 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.575 -0.703 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -59.97 -40.02 87.65 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.41 -39.86 94.66 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 6.6 mp -77.36 -67.68 0.69 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.54 -0.725 . . . . 0.0 109.574 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 93.2 m-20 -81.01 40.92 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.307 -0.871 . . . . 0.0 109.145 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -51.93 -19.44 1.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' B' ' 62' ' ' ASP . 20.0 m120 -85.45 -2.94 58.65 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.751 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.96 32.2 66.38 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.563 ' C ' ' H ' ' B' ' 68' ' ' GLU . 7.9 m-20 -80.84 -18.35 47.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -1.17 . . . . 0.0 110.134 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.22 -3.06 2.56 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.6 mt-10 -130.66 150.01 52.04 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 t -120.05 149.53 22.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-O 121.775 0.798 . . . . 0.0 111.747 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' GLN . 50.6 m-20 -88.7 17.59 5.4 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.63 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 78.3 t80 63.16 -37.71 0.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 122.168 -0.332 . . . . 0.0 110.515 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-30 -67.37 -38.94 85.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.564 -1.335 . . . . 0.0 108.196 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.24 -40.11 89.09 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.968 -1.083 . . . . 0.0 109.101 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -64.49 -47.49 78.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.39 -0.819 . . . . 0.0 112.846 -178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.99 -39.99 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 111.473 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -40.09 80.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.275 . . . . 0.0 111.306 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.75 -57.43 8.03 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.832 -1.168 . . . . 0.0 111.609 -177.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 m -72.91 -22.5 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.065 -1.022 . . . . 0.0 111.348 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.38 74.11 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.732 -1.23 . . . . 0.0 109.321 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.66 72.73 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 111.221 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.19 -51.71 67.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.943 -1.098 . . . . 0.0 111.066 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 13.5 t -62.36 -39.61 93.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.914 -1.117 . . . . 0.0 110.423 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.128 -0.982 . . . . 0.0 109.551 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.46 89.53 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.415 -0.803 . . . . 0.0 111.24 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 82' ' ' THR . 17.0 p -64.72 -39.98 94.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.65 -1.281 . . . . 0.0 109.483 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 t30 -60.58 -40.04 90.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.352 -0.843 . . . . 0.0 110.471 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -67.24 -36.85 82.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.159 -0.963 . . . . 0.0 109.105 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.0 -40.12 88.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.659 . . . . 0.0 110.623 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.025 -179.066 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.3 p . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.76 -48.93 79.58 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.283 -0.885 . . . . 0.0 109.501 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.435 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -73.35 -39.97 64.79 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -63.07 -22.76 67.08 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -39.73 83.11 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.369 -0.832 . . . . 0.0 109.779 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.51 -35.81 53.12 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.703 -1.248 . . . . 0.0 110.853 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.35 -32.77 70.61 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.285 -0.884 . . . . 0.0 110.834 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t -76.82 -45.53 28.27 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.233 -0.917 . . . . 0.0 111.736 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.28 -27.02 63.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.311 -1.493 . . . . 0.0 109.425 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.47 -35.27 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.849 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.47 -42.84 70.88 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.992 0.901 . . . . 0.0 109.946 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.94 -32.94 53.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 64.3 t80 -60.92 -40.01 91.53 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -85.11 -11.49 55.05 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.94 57.66 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.171 -0.955 . . . . 0.0 109.781 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 58.2 t-80 -101.19 -36.48 8.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.267 -0.895 . . . . 0.0 110.907 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 m -55.65 -30.82 61.66 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.165 -0.959 . . . . 0.0 110.282 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.75 2.59 70.01 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -81.53 -26.26 35.23 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.496 -1.002 . . . . 0.0 109.749 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -96.95 -4.95 39.04 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.293 -0.879 . . . . 0.0 111.313 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 92.48 -12.38 69.87 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 27' ' ' LYS . 87.4 m-20 -87.03 37.82 0.78 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 23' ' ' GLY . 26.9 ttpt -56.12 -12.32 1.47 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.127 -178.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 64.2 t80 -88.26 -12.27 44.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.781 -1.199 . . . . 0.0 109.642 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.3 ttpm? -161.41 162.59 30.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.97 162.65 22.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.849 -1.157 . . . . 0.0 108.232 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 7.4 m -131.9 163.81 27.48 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.163 -0.961 . . . . 0.0 109.11 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.933 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.71 -34.68 62.63 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.717 -1.24 . . . . 0.0 110.388 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 92.1 mt-10 -60.12 -49.67 76.74 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.466 -0.771 . . . . 0.0 111.193 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -68.06 -30.76 70.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.911 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.99 -39.96 93.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.834 -1.166 . . . . 0.0 109.473 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.541 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 92.4 m-20 -63.73 -40.07 95.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.371 -0.83 . . . . 0.0 110.298 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.87 -40.01 94.46 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.176 -0.953 . . . . 0.0 111.145 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' SER . 17.9 mt -73.85 -42.53 60.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.786 -1.197 . . . . 0.0 111.445 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.53 -16.95 61.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.401 -0.812 . . . . 0.0 109.617 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 6.9 p -84.37 -57.01 3.33 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.079 -1.013 . . . . 0.0 111.154 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 13.2 mt-10 -110.35 -29.9 7.92 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.054 -1.029 . . . . 0.0 112.395 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.27 24.54 12.86 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.883 -1.135 . . . . 0.0 109.838 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' LEU . 3.7 p -60.06 -45.67 92.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.9 m -63.18 -41.82 99.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.851 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -70.0 0.55 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.082 -1.011 . . . . 0.0 110.539 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 4.1 mm? -77.19 87.27 3.64 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -51.85 106.16 0.14 Allowed 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.06 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.9 -19.87 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.517 -0.74 . . . . 0.0 109.734 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.31 -60.84 1.96 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.98 . . . . 0.0 112.142 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.97 -46.65 88.74 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.918 -1.114 . . . . 0.0 110.105 -177.312 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 88.0 m-20 -97.42 77.25 2.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.469 -1.395 . . . . 0.0 109.697 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.41 14.44 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.67 -27.63 61.34 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.74 -32.79 73.05 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.498 -0.751 . . . . 0.0 109.679 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.83 -29.56 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 119.212 -0.995 . . . . 0.0 109.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.71 -40.08 94.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.724 -1.235 . . . . 0.0 108.057 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.48 -39.93 73.93 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.508 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -81.99 -32.87 30.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.667 -1.27 . . . . 0.0 110.101 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' ' SD ' ' A' ' 58' ' ' MET . 36.1 ttpt -60.08 -43.83 95.2 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.069 -1.019 . . . . 0.0 111.022 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.94 -40.02 87.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.81 . . . . 0.0 111.805 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -94.44 -22.66 18.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.873 -1.142 . . . . 0.0 110.342 -178.262 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 27.3 t70 -83.38 46.26 1.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.81 -1.181 . . . . 0.0 108.473 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.97 -13.83 3.05 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -75.57 -4.0 37.44 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.9 23.41 1.04 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 68' ' ' GLU . 28.0 p-10 -90.22 1.35 56.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -1.001 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.78 10.14 7.97 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.7 mt-10 -130.73 146.58 52.23 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.7 t -115.69 137.32 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 CA-C-O 121.754 0.788 . . . . 0.0 110.319 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.2 m-20 -78.28 15.11 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 40.3 t80 62.07 -43.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 95.9 mt-30 -60.1 -39.88 87.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.266 -1.521 . . . . 0.0 108.026 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.19 -39.94 88.3 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.15 -44.51 94.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.72 -0.612 . . . . 0.0 111.486 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.99 -40.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.73 -1.231 . . . . 0.0 110.987 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.35 -39.95 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.111 -1.618 . . . . 0.0 111.216 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -57.68 4.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.992 -1.068 . . . . 0.0 112.789 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 m -77.96 -25.01 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.384 -0.822 . . . . 0.0 112.45 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.04 73.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.288 -1.507 . . . . 0.0 109.093 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.206 -0.934 . . . . 0.0 111.003 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.13 71.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.963 -1.085 . . . . 0.0 110.745 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 5.8 t -67.31 -40.01 85.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.835 -1.165 . . . . 0.0 111.668 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 82' ' ' THR . 55.3 t -63.31 -47.03 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 110.186 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.12 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.796 -0.565 . . . . 0.0 110.187 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.98 -40.01 95.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 111.239 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.08 -47.83 84.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.006 -1.059 . . . . 0.0 110.996 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 27.4 p30 -81.03 -14.74 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.019 -1.051 . . . . 0.0 110.316 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -88.63 -16.38 32.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.377 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.3 t80 . . . . . 0 N--CA 1.487 1.394 0 O-C-N 121.034 -1.041 . . . . 0.0 109.716 -179.735 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 7.3 p . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.88 -49.01 79.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.288 -0.883 . . . . 0.0 109.403 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.2 tt -73.2 -39.9 65.19 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.72 -40.0 95.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.1 m -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.73 83.58 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.443 -0.785 . . . . 0.0 109.836 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.482 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -77.68 -35.74 51.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.733 -1.229 . . . . 0.0 110.815 -179.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.52 -32.74 70.32 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.21 -0.931 . . . . 0.0 110.806 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -76.72 -45.63 28.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.18 -26.99 63.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.283 -1.511 . . . . 0.0 109.41 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -74.66 -35.0 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.949 -1.094 . . . . 0.0 109.925 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -71.09 -42.63 69.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.254 -0.904 . . . . 0.0 109.907 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.99 -32.84 52.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 63.8 t80 -61.01 -40.02 91.97 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -84.9 -11.6 55.25 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.44 -40.06 58.09 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.537 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 58.1 t-80 -100.75 -36.79 8.98 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 110.947 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 61.1 m -55.65 -30.71 61.47 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.174 -0.954 . . . . 0.0 110.401 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.69 2.42 69.97 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.49 -26.09 35.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.571 -0.958 . . . . 0.0 109.718 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -97.0 -5.02 38.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.249 -0.907 . . . . 0.0 111.222 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 92.55 -12.37 69.93 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' B' ' 27' ' ' LYS . 87.6 m-20 -86.93 37.71 0.77 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' B' ' 23' ' ' GLY . 26.9 ttpt -56.15 -12.29 1.47 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.224 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -88.1 -12.47 44.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.695 -1.253 . . . . 0.0 109.643 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.2 ttpm? -161.35 162.62 30.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.425 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.402 ' N ' ' CG ' ' B' ' 27' ' ' LYS . 35.8 tp -81.88 162.43 22.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.782 -1.199 . . . . 0.0 108.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 6.5 m -131.57 163.91 26.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.066 -1.021 . . . . 0.0 109.077 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.16 87.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.047 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -75.0 -34.37 61.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 110.385 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 92.4 mt-10 -60.37 -49.38 77.81 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.428 -0.795 . . . . 0.0 111.09 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.23 -30.86 70.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.391 -0.818 . . . . 0.0 110.894 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.93 -40.01 94.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.768 -1.207 . . . . 0.0 109.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.537 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 92.8 m-20 -63.51 -39.91 95.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 0.0 110.601 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -39.98 92.62 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.2 mt -73.53 -42.88 61.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.696 -1.253 . . . . 0.0 111.499 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.42 -16.58 61.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 109.713 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 7.0 p -84.76 -56.89 3.35 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.188 -0.945 . . . . 0.0 111.115 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.3 mt-10 -110.33 -29.89 7.93 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.112 -0.992 . . . . 0.0 112.306 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.25 24.24 13.25 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.874 -1.141 . . . . 0.0 109.896 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.544 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.9 p -60.01 -45.56 92.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.119 -0.988 . . . . 0.0 111.024 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.1 m -63.28 -41.69 99.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.976 . . . . 0.0 110.983 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 110.418 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 4.1 mm? -77.17 87.4 3.63 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.09 105.96 0.13 Allowed 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.113 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -123.53 -19.95 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.46 -0.775 . . . . 0.0 109.773 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.17 -60.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.126 -0.984 . . . . 0.0 112.169 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.454 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.03 -46.04 90.83 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.862 -1.149 . . . . 0.0 110.167 -177.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.6 m-20 -98.07 76.91 2.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.431 -1.418 . . . . 0.0 109.644 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -19.26 11.86 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -73.95 -27.78 61.18 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.28 -33.44 73.56 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.543 -0.723 . . . . 0.0 109.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.57 -29.45 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.949 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.757 -1.215 . . . . 0.0 108.118 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.59 -40.02 73.49 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.868 -0.52 . . . . 0.0 110.681 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -81.87 -32.93 30.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.0 110.084 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.464 ' N ' ' SD ' ' B' ' 58' ' ' MET . 36.1 ttpt -60.03 -43.87 95.03 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.106 -0.997 . . . . 0.0 110.944 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.07 -39.95 86.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.473 -0.767 . . . . 0.0 111.793 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -94.39 -22.55 18.24 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.869 -1.145 . . . . 0.0 110.366 -178.293 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.5 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 27.4 t70 -83.44 46.59 1.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.828 -1.17 . . . . 0.0 108.385 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.37 -13.59 3.62 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 66' ' ' ASP . 54.6 t-20 -75.75 -4.33 39.85 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.41 22.99 1.13 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' B' ' 68' ' ' GLU . 28.0 p-10 -89.94 1.08 56.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.532 -0.981 . . . . 0.0 110.422 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.03 9.96 8.26 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.7 mt-10 -130.61 146.67 52.17 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' B' ' 71' ' ' PHE . 25.7 t -115.82 137.25 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 CA-C-O 121.68 0.753 . . . . 0.0 110.229 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.1 m-20 -78.32 15.24 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.597 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 41.0 t80 61.97 -43.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 70' ' ' ASP . 95.8 mt-30 -60.09 -39.85 87.56 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.304 -1.498 . . . . 0.0 108.145 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.17 -40.01 88.47 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 108.62 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -44.67 94.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.666 -0.646 . . . . 0.0 111.644 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -39.91 81.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 120.659 -1.276 . . . . 0.0 110.871 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 120.406 -1.434 . . . . 0.0 111.071 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -57.9 4.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.967 -1.083 . . . . 0.0 112.915 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.6 m -77.85 -24.91 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 0.0 112.402 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -41.82 73.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.392 -1.442 . . . . 0.0 109.125 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.99 74.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.92 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -49.06 71.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.09 -1.006 . . . . 0.0 110.759 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 6.0 t -67.42 -40.39 85.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.836 -1.165 . . . . 0.0 111.578 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' B' ' 82' ' ' THR . 55.1 t -62.91 -47.3 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.127 -0.983 . . . . 0.0 110.139 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.1 90.47 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.745 -0.597 . . . . 0.0 110.201 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.99 -39.98 95.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.425 -0.797 . . . . 0.0 111.31 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -60.06 -47.69 84.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.049 -1.032 . . . . 0.0 111.084 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -81.2 -15.08 56.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.996 -1.065 . . . . 0.0 110.245 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -88.38 -16.28 33.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.307 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.043 -1.036 . . . . 0.0 109.564 -179.626 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.455 ' HG ' ' CG ' ' A' ' 3' ' ' GLU . 17.8 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 121.517 0.675 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' CG ' ' HG ' ' A' ' 2' ' ' SER . 9.2 mt-10 -103.23 -58.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.682 . . . . 0.0 111.923 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.458 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.05 -41.19 91.8 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.189 -0.944 . . . . 0.0 110.007 -178.027 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -65.99 -40.04 90.84 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.557 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -59.28 -23.06 62.09 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.66 84.13 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -80.7 -34.76 34.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.783 -1.198 . . . . 0.0 110.617 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -31.51 69.22 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.26 -178.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 t -77.79 -50.65 11.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.315 -0.865 . . . . 0.0 111.084 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.29 -28.52 68.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.317 -1.489 . . . . 0.0 109.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -72.35 -34.28 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.47 -1.394 . . . . 0.0 109.858 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.32 -44.18 68.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.539 -0.726 . . . . 0.0 111.02 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -70.84 -31.07 44.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -62.53 -39.93 95.16 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.65 -8.18 58.38 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.3 28.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.503 -0.748 . . . . 0.0 109.705 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 20' ' ' GLY . 97.2 m-70 -113.72 -9.46 13.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.508 -0.745 . . . . 0.0 111.163 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 1.5 t -43.58 -18.1 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.239 -0.913 . . . . 0.0 110.412 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . 139.49 31.29 0.19 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -58.76 -24.81 62.29 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.07 0.02 57.35 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.659 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.79 -106.29 0.19 Allowed Glycine 0 N--CA 1.492 2.397 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.715 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.7 p-10 -79.61 80.33 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.316 -1.108 . . . . 0.0 110.568 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.37 9.03 7.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.85 . . . . 0.0 109.818 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 54.6 t80 -89.79 -9.95 47.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.125 -0.984 . . . . 0.0 109.472 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -158.29 160.04 36.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 108.946 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.8 tp -80.98 160.65 24.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.984 -1.072 . . . . 0.0 108.908 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -137.62 168.29 19.97 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.794 -1.191 . . . . 0.0 110.331 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.76 -40.02 86.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.457 -0.777 . . . . 0.0 112.415 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.02 -29.04 43.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.189 -1.57 . . . . 0.0 109.751 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 19' ' ' SER . 95.9 mt-10 -67.09 -45.55 76.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 111.022 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.95 -35.59 74.62 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.298 -0.876 . . . . 0.0 110.46 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 49.4 tttm -60.31 -34.53 73.93 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.052 -1.03 . . . . 0.0 109.229 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' O ' ' CG2' ' A' ' 39' ' ' THR . 44.2 t0 -67.65 -41.0 84.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.698 -1.252 . . . . 0.0 109.658 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.12 -43.54 95.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.75 . . . . 0.0 111.718 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -76.92 -40.0 48.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.76 -1.213 . . . . 0.0 110.821 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.533 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.5 mt-30 -70.03 -19.98 63.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.757 0.789 . . . . 0.0 109.123 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.482 ' H ' ' HG1' ' A' ' 39' ' ' THR . 4.7 p -80.84 -60.44 2.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.361 -0.837 . . . . 0.0 112.071 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.4 mt-10 -111.1 -29.95 7.67 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.947 -1.096 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.06 28.5 8.43 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.065 -1.022 . . . . 0.0 110.16 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 37' ' ' LEU . 20.6 p -62.9 -40.81 98.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.114 -0.991 . . . . 0.0 111.506 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -73.6 -38.8 65.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.964 -1.085 . . . . 0.0 112.005 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.98 -63.92 1.25 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.684 -1.26 . . . . 0.0 109.868 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -80.67 99.0 7.95 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.01 132.95 55.52 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.649 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.87 -31.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.082 -1.011 . . . . 0.0 110.081 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.02 -59.98 2.58 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.2 -0.937 . . . . 0.0 111.934 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.63 -41.7 99.17 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.504 -0.748 . . . . 0.0 110.514 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 53' ' ' ALA . 3.9 p30 -101.33 72.6 1.44 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.862 -1.149 . . . . 0.0 109.359 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.16 -22.13 3.97 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.692 -1.255 . . . . 0.0 107.748 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -70.4 -27.23 64.13 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -63.06 -31.1 72.16 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -30.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 109.116 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -66.91 -40.04 87.58 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.106 -0.996 . . . . 0.0 108.869 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -70.09 -39.91 75.28 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.056 0.931 . . . . 0.0 110.388 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -40.09 87.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.478 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASP . 60.7 mtp -76.59 -37.46 56.45 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.078 0.942 . . . . 0.0 111.213 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.0 -34.33 73.19 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 122.839 1.304 . . . . 0.0 108.274 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.01 -49.92 75.77 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.648 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' H ' ' CD2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -110.28 -18.77 13.2 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.196 -0.94 . . . . 0.0 110.832 -178.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 64' ' ' ASN . 10.4 t0 -84.32 26.68 0.75 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 61' ' ' LEU . 44.8 mt-10 -50.08 -8.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.731 -0.606 . . . . 0.0 110.035 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -74.51 -5.92 45.48 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.161 -0.962 . . . . 0.0 108.688 179.437 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.42 21.47 48.61 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 68' ' ' GLU . 49.4 p-10 -90.17 0.01 57.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -1.015 . . . . 0.0 110.412 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.45 8.43 1.8 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 66' ' ' ASP . 50.9 mt-10 -130.3 139.91 50.69 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 71' ' ' PHE . 20.9 t -110.6 140.05 31.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-O 121.427 0.632 . . . . 0.0 110.375 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLN . 92.6 m-20 -74.27 15.14 0.35 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.418 -0.801 . . . . 0.0 109.729 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 70.1 t80 63.75 -48.17 0.26 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 122.025 -0.422 . . . . 0.0 110.629 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ASP . 62.9 tp60 -60.06 -37.99 81.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 107.835 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.94 -45.51 92.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 108.988 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -60.02 -43.56 95.18 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -39.95 81.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 120.704 -1.247 . . . . 0.0 110.235 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.89 -40.01 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.59 -1.319 . . . . 0.0 111.663 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.76 -56.62 11.03 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.778 -1.201 . . . . 0.0 112.337 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.82 -21.52 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.024 -1.048 . . . . 0.0 111.538 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.45 -50.57 58.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.875 -1.141 . . . . 0.0 109.744 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.07 83.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.405 -0.809 . . . . 0.0 111.304 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.42 -49.88 75.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 0.0 110.98 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -67.52 -40.13 85.08 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.27 -0.894 . . . . 0.0 112.021 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.83 -45.56 98.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.284 -0.885 . . . . 0.0 110.001 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.02 91.26 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.536 -0.727 . . . . 0.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.51 -39.96 89.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.066 -1.021 . . . . 0.0 110.414 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.89 -40.07 96.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.168 -0.958 . . . . 0.0 110.666 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.32 -39.98 94.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.045 -1.034 . . . . 0.0 109.716 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.26 -40.12 96.52 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.118 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 t80 . . . . . 0 C--N 1.304 -1.388 0 O-C-N 121.064 -1.023 . . . . 0.0 108.588 179.199 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.543 0.687 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 9.8 mt-10 -102.84 -58.16 1.92 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.632 -0.667 . . . . 0.0 111.961 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -60.02 -41.25 91.75 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.229 -0.919 . . . . 0.0 110.019 -177.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -65.97 -39.82 90.71 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.977 -1.489 . . . . 0.0 108.575 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -59.41 -22.98 62.23 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.61 83.52 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.404 0.621 . . . . 0.0 110.178 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.0 mmm -80.64 -34.89 34.59 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.808 -1.182 . . . . 0.0 110.589 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -31.19 68.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.164 -0.96 . . . . 0.0 110.268 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t -78.03 -50.83 11.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.277 -0.889 . . . . 0.0 111.035 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.09 -28.55 68.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.322 -1.486 . . . . 0.0 109.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.47 -34.17 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.485 -1.385 . . . . 0.0 109.941 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.91 -43.58 68.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.254 -0.904 . . . . 0.0 111.075 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.67 -31.34 45.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 2.0 t80 -62.38 -39.98 94.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -85.75 -7.91 58.47 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.13 -36.51 27.41 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.461 -0.774 . . . . 0.0 109.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 20' ' ' GLY . 97.4 m-70 -113.42 -9.51 13.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.172 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.5 t -43.74 -17.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.19 -0.944 . . . . 0.0 110.317 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 18' ' ' HIS . . . 139.43 31.53 0.19 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -58.95 -24.85 62.96 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.01 0.02 57.34 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.617 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.84 -106.29 0.19 Allowed Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.798 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 29.1 p-10 -79.59 80.65 5.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.21 -1.171 . . . . 0.0 110.491 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -81.51 8.99 8.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.399 -0.813 . . . . 0.0 109.809 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -89.88 -9.96 47.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.037 -1.04 . . . . 0.0 109.514 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.37 160.02 36.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 108.781 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -80.97 160.78 24.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.999 -1.063 . . . . 0.0 108.805 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -137.09 169.03 18.46 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.869 -1.144 . . . . 0.0 110.264 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.1 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.669 -0.644 . . . . 0.0 112.514 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -28.88 41.84 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.289 -1.507 . . . . 0.0 109.818 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 19' ' ' SER . 95.9 mt-10 -67.13 -45.62 76.57 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 110.981 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -35.82 74.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.238 -0.914 . . . . 0.0 110.498 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.8 tttm -60.14 -34.49 73.62 Favored 'General case' 0 C--O 1.196 -1.754 0 O-C-N 121.107 -0.996 . . . . 0.0 109.253 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.467 ' O ' ' CG2' ' B' ' 39' ' ' THR . 44.8 t0 -67.76 -40.07 84.08 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.69 -1.256 . . . . 0.0 109.858 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -43.37 98.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.422 -0.799 . . . . 0.0 111.727 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' B' ' 42' ' ' SER . 38.2 mt -76.86 -40.03 49.06 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.809 -1.182 . . . . 0.0 110.764 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.5 mt-30 -70.01 -20.15 63.29 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.635 0.731 . . . . 0.0 109.181 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 5.2 p -80.63 -60.51 2.28 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.51 -0.744 . . . . 0.0 112.047 -178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.4 mt-10 -111.17 -29.9 7.67 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.861 -1.149 . . . . 0.0 111.974 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.09 28.05 8.89 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.049 -1.032 . . . . 0.0 110.225 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 37' ' ' LEU . 19.8 p -62.49 -40.79 97.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.159 -0.963 . . . . 0.0 111.577 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -73.59 -38.99 64.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.924 -1.11 . . . . 0.0 111.913 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.99 -63.94 1.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.757 -1.214 . . . . 0.0 109.968 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.1 mm? -80.69 99.04 7.98 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.0 133.14 55.81 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.617 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -155.81 -31.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.052 -1.03 . . . . 0.0 109.997 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.03 -59.98 2.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.083 -1.01 . . . . 0.0 111.952 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -62.86 -41.08 99.24 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.512 -0.742 . . . . 0.0 110.547 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 53' ' ' ALA . 3.8 p30 -101.56 72.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.756 -1.215 . . . . 0.0 109.433 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.97 -22.14 3.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.62 -1.3 . . . . 0.0 107.792 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' B' ' 50' ' ' ASP . 90.4 m-20 -70.42 -27.34 64.2 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.93 -31.45 72.54 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.44 -31.19 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.931 . . . . 0.0 109.069 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -66.74 -40.02 88.16 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 121.132 -0.98 . . . . 0.0 108.964 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -70.16 -39.92 75.05 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.375 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -39.94 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 62' ' ' ASP . 62.6 mtp -76.41 -37.44 57.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.054 0.93 . . . . 0.0 111.212 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.08 -34.37 73.35 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.796 1.284 . . . . 0.0 108.256 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.99 -49.9 75.85 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.624 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.581 ' H ' ' CD2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -110.4 -18.79 13.16 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' B' ' 64' ' ' ASN . 10.5 t0 -84.33 26.42 0.77 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' B' ' 61' ' ' LEU . 45.0 mt-10 -49.84 -8.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.825 -0.547 . . . . 0.0 110.121 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -74.47 -6.65 49.54 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 108.733 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.96 21.64 52.99 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' B' ' 68' ' ' GLU . 49.8 p-10 -90.28 -0.04 57.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.433 -1.039 . . . . 0.0 110.405 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.56 8.21 1.8 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' B' ' 66' ' ' ASP . 50.3 mt-10 -130.12 139.83 50.86 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -110.46 140.02 31.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.38 0.61 . . . . 0.0 110.522 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 72' ' ' GLN . 92.4 m-20 -74.28 15.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 109.82 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 70.0 t80 63.75 -48.27 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 122.013 -0.429 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' B' ' 70' ' ' ASP . 62.3 tp60 -59.98 -38.12 81.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.578 -1.326 . . . . 0.0 107.77 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -59.94 -45.5 92.42 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 108.931 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -59.97 -43.71 94.93 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.97 81.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.512 -1.367 . . . . 0.0 110.223 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.59 -40.02 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.9 -1.125 . . . . 0.0 111.648 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.84 -56.76 10.19 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 112.482 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.86 -21.25 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 111.51 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.61 -50.44 58.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.135 . . . . 0.0 109.734 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.99 82.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 111.273 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.44 -49.9 75.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.812 -1.18 . . . . 0.0 111.123 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -67.28 -41.27 85.73 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 111.776 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -45.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 121.242 -0.911 . . . . 0.0 109.879 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.28 92.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.505 -0.747 . . . . 0.0 110.283 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 81.0 m -60.31 -40.07 89.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 110.398 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.7 -40.01 95.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.934 . . . . 0.0 110.735 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.3 -40.01 95.06 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.125 -0.984 . . . . 0.0 109.713 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -63.46 -40.06 96.12 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.006 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.051 -1.03 . . . . 0.0 108.612 179.242 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 19.0 m . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.01 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.261 -0.899 . . . . 0.0 109.282 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.5 tt -71.22 -39.44 71.72 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.06 -39.96 94.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -64.51 -22.6 67.01 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.87 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.227 -0.921 . . . . 0.0 109.466 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.9 mtm -78.1 -34.27 50.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.827 -1.171 . . . . 0.0 110.641 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 5.6 pt-20 -70.71 -32.95 70.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.962 -1.086 . . . . 0.0 110.654 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 t -77.37 -45.14 26.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.248 -0.908 . . . . 0.0 111.903 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.93 -28.43 64.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.208 -1.558 . . . . 0.0 108.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.29 -37.35 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.144 -0.972 . . . . 0.0 109.777 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 15.1 m120 -70.02 -40.09 75.42 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.983 0.897 . . . . 0.0 110.109 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -32.01 42.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.2 t80 -62.99 -39.91 96.16 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.06 -9.62 54.99 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.0 51.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.644 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -103.69 -39.98 6.47 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.428 -0.795 . . . . 0.0 110.44 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 t -65.93 -23.49 66.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.106 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.1 -7.7 67.63 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -71.21 -31.81 68.06 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.762 -0.846 . . . . 0.0 108.728 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' ASP . 98.5 mt-10 -94.18 112.45 24.26 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . -31.02 -31.66 0.01 OUTLIER Glycine 0 N--CA 1.502 3.098 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 22' ' ' GLU . 91.8 m-20 -71.41 47.4 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.725 -1.456 . . . . 0.0 107.733 178.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 23' ' ' GLY . 28.3 mtmm -61.55 6.51 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.854 -0.529 . . . . 0.0 111.078 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 24' ' ' ASP . 80.7 m-85 -86.75 -10.07 54.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.512 -1.367 . . . . 0.0 109.785 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.18 161.11 30.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.873 -1.142 . . . . 0.0 110.662 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.3 tp -83.29 166.24 18.68 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.523 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 41.1 t -137.07 164.54 28.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.798 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.294 -0.878 . . . . 0.0 111.199 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -70.53 -35.18 73.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.865 -1.147 . . . . 0.0 109.993 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 29' ' ' SER . 74.0 mt-10 -63.72 -50.08 70.55 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.294 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.34 -30.22 70.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.175 -0.953 . . . . 0.0 110.112 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.512 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 28.7 tptp -60.6 -39.98 90.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.304 -0.873 . . . . 0.0 109.539 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' A' ' 39' ' ' THR . 47.2 t0 -68.91 -40.03 79.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.643 -0.661 . . . . 0.0 110.714 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.82 -40.04 91.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.268 -0.895 . . . . 0.0 111.432 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.37 -44.09 53.66 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.893 -1.13 . . . . 0.0 111.345 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.512 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 13.4 pt20 -69.99 -20.05 63.31 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.396 -0.815 . . . . 0.0 109.389 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.468 ' HG1' ' H ' ' A' ' 40' ' ' GLU . 5.1 p -81.59 -57.1 3.61 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.222 -0.924 . . . . 0.0 112.228 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.0 mt-10 -112.28 -25.83 9.07 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.026 -1.046 . . . . 0.0 112.968 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.95 23.65 14.08 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 120.687 -1.258 . . . . 0.0 109.928 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -59.92 -40.39 88.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.123 -0.985 . . . . 0.0 111.164 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.5 p -70.87 -40.94 72.0 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.881 -1.137 . . . . 0.0 111.464 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -78.59 -70.1 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.776 -1.203 . . . . 0.0 110.362 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -82.59 96.41 8.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 14.3 p-10 -59.41 97.85 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.133 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -111.08 -16.85 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.623 -0.673 . . . . 0.0 109.618 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.89 -60.05 2.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.0 -1.063 . . . . 0.0 112.389 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -46.51 89.18 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.937 -1.102 . . . . 0.0 109.995 -177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' ALA . 87.5 m-20 -99.15 78.46 2.24 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.626 -1.296 . . . . 0.0 109.718 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.9 17.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 53.5 t0 -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.76 -34.41 78.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.18 -26.64 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.904 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -69.97 -37.67 75.86 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.706 -1.246 . . . . 0.0 108.034 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 122.171 0.986 . . . . 0.0 109.494 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -37.55 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.29 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.514 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 10.6 mmm -75.44 -33.07 60.87 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.776 0.798 . . . . 0.0 110.451 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.52 -40.01 85.09 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 122.46 1.124 . . . . 0.0 109.995 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -62.47 -40.39 96.5 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.908 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -103.73 -28.56 11.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.115 -0.991 . . . . 0.0 110.705 -178.323 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' H ' HD22 ' A' ' 61' ' ' LEU . 25.0 t0 -84.3 31.85 0.51 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.9 tt0 -49.71 -19.32 0.6 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.604 0.716 . . . . 0.0 109.2 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' ASP . 1.2 t-20 -72.62 -12.23 60.96 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.54 38.21 94.49 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.572 ' C ' ' H ' ' A' ' 68' ' ' GLU . 1.2 m-20 -93.43 -9.15 39.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.993 -1.298 . . . . 0.0 110.137 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 0.93 9.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 106.768 -2.533 . . . . 0.0 106.768 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.5 mt-10 -130.06 146.54 51.73 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.542 ' C ' ' H ' ' A' ' 71' ' ' PHE . 16.8 t -115.78 136.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-O 121.472 0.653 . . . . 0.0 110.787 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLN . 90.9 m-20 -72.23 16.84 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.658 -0.651 . . . . 0.0 109.459 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 68.6 t80 62.59 -48.67 0.18 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 122.01 -0.431 . . . . 0.0 110.621 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' ASP . 64.0 tt0 -60.06 -38.53 83.12 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.615 -1.303 . . . . 0.0 107.816 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -39.98 87.51 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.14 -45.52 93.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.605 -0.684 . . . . 0.0 112.603 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -60.02 -39.52 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 120.591 -1.318 . . . . 0.0 110.771 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.85 -39.95 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.497 -1.377 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.98 -56.31 12.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.787 -1.196 . . . . 0.0 112.438 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 m -75.2 -21.77 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.174 -0.954 . . . . 0.0 111.566 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.3 67.37 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.667 -1.27 . . . . 0.0 109.148 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.66 75.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.316 -0.865 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -55.13 33.08 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.913 -1.117 . . . . 0.0 110.758 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -64.58 -39.99 94.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.946 -1.096 . . . . 0.0 111.749 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -41.57 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.946 -1.096 . . . . 0.0 109.564 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.97 84.45 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.423 -0.798 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.03 -39.93 87.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.861 . . . . 0.0 109.795 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.973 . . . . 0.0 110.406 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -59.93 -40.2 88.07 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.932 -1.105 . . . . 0.0 108.851 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.27 -39.9 92.09 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.838 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.274 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 6' ' ' THR . 14.7 m . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -60.09 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.511 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 2.5 tt -70.97 -39.7 72.38 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.94 -39.97 93.93 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.0 m -64.53 -22.41 66.96 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.67 84.16 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 109.425 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.7 mtm -78.23 -34.33 49.3 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.922 -1.111 . . . . 0.0 110.679 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 6.0 pt-20 -70.62 -32.89 70.39 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.965 -1.084 . . . . 0.0 110.584 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t -77.52 -44.99 26.88 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.285 -0.884 . . . . 0.0 111.834 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.99 -28.26 64.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.279 -1.513 . . . . 0.0 108.859 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.5 -37.44 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.099 -1.0 . . . . 0.0 109.815 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.5 m120 -70.03 -40.0 75.44 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.276 -0.89 . . . . 0.0 110.214 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -31.99 43.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.1 t80 -63.03 -39.97 96.33 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.19 -9.13 55.96 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.66 -40.08 50.18 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.081 -1.012 . . . . 0.0 109.606 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -103.85 -40.04 6.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -66.09 -23.59 66.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.024 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.31 -7.33 67.62 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -71.34 -31.36 67.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 24' ' ' ASP . 99.2 mt-10 -94.42 112.33 24.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . -30.74 -32.05 0.01 OUTLIER Glycine 0 N--CA 1.504 3.168 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' GLU . 89.9 m-20 -71.63 48.15 0.14 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.658 -1.495 . . . . 0.0 107.671 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' B' ' 23' ' ' GLY . 27.6 mtmm -62.06 6.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.907 -0.495 . . . . 0.0 110.92 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' B' ' 24' ' ' ASP . 79.0 m-85 -86.94 -10.13 53.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.5 -1.375 . . . . 0.0 109.823 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -161.07 160.83 30.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.818 -1.176 . . . . 0.0 110.647 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -82.89 166.27 19.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 35.5 t -137.28 164.12 29.31 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.946 -1.096 . . . . 0.0 109.744 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -69.96 -35.67 74.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.851 -1.155 . . . . 0.0 110.099 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 29' ' ' SER . 73.4 mt-10 -63.41 -49.9 71.94 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.678 -0.639 . . . . 0.0 111.373 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.77 -29.49 69.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.216 -0.928 . . . . 0.0 110.165 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 29.0 tptp -61.09 -40.04 92.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 109.323 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' B' ' 39' ' ' THR . 46.1 t0 -68.7 -39.83 80.3 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.382 0.611 . . . . 0.0 110.906 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.35 -40.03 89.57 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.346 -0.846 . . . . 0.0 111.476 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -74.37 -44.25 53.02 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.985 -1.072 . . . . 0.0 111.302 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 13.6 pt20 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.448 -0.783 . . . . 0.0 109.463 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' B' ' 39' ' ' THR . 5.2 p -81.64 -57.06 3.62 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.225 -0.922 . . . . 0.0 112.192 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.2 mt-10 -112.17 -26.09 8.99 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.003 -1.06 . . . . 0.0 113.052 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.98 23.81 13.85 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.044 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.8 p -60.1 -40.2 88.81 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.173 -0.955 . . . . 0.0 111.045 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -70.91 -41.24 71.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.893 -1.13 . . . . 0.0 111.454 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -78.24 -70.0 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 110.419 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.76 96.52 8.21 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 15.4 p-10 -59.46 97.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.129 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -111.21 -16.56 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.701 -0.625 . . . . 0.0 109.634 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.02 -60.25 2.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.936 -1.102 . . . . 0.0 112.358 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.81 91.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.884 -1.126 . . . . 0.0 110.101 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.3 m-20 -99.76 78.25 2.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.476 -1.39 . . . . 0.0 109.7 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.38 -19.93 17.04 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -73.14 -24.21 60.57 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.26 -35.26 80.49 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -77.52 -26.76 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.042 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -69.99 -37.26 75.67 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.747 -1.221 . . . . 0.0 108.119 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -69.85 -39.92 76.1 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.057 0.932 . . . . 0.0 109.428 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -37.38 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.594 0.711 . . . . 0.0 109.285 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 10.3 mmm -75.61 -32.87 60.47 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.735 0.778 . . . . 0.0 110.369 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -67.35 -40.0 85.78 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 122.458 1.123 . . . . 0.0 110.008 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.72 -40.12 96.19 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.941 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' B' ' 63' ' ' GLU . 0.9 OUTLIER -103.95 -28.55 11.49 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.023 -1.048 . . . . 0.0 110.68 -178.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.42 ' H ' HD23 ' B' ' 61' ' ' LEU . 24.7 t0 -84.19 31.97 0.5 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.8 tt0 -49.73 -19.33 0.61 Allowed 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' B' ' 62' ' ' ASP . 1.1 t-20 -72.64 -12.32 61.0 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.76 38.05 94.04 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' B' ' 68' ' ' GLU . 1.7 m-20 -93.08 -9.9 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.045 -1.268 . . . . 0.0 110.041 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.43 1.31 10.24 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 106.625 -2.59 . . . . 0.0 106.625 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.3 mt-10 -130.17 146.26 51.79 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -115.71 136.87 51.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.7 m-20 -72.11 16.62 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.559 -0.713 . . . . 0.0 109.6 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 68.7 t80 62.66 -48.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 122.02 -0.425 . . . . 0.0 110.649 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 70' ' ' ASP . 64.1 tt0 -60.08 -38.32 82.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.665 -1.272 . . . . 0.0 107.796 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.43 -45.22 94.07 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.589 -0.695 . . . . 0.0 112.784 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -59.95 -39.95 81.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 120.6 -1.312 . . . . 0.0 110.656 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.26 -39.92 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.626 -1.296 . . . . 0.0 111.204 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.53 -56.21 11.93 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.819 -1.176 . . . . 0.0 112.454 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.23 -21.73 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.221 -0.924 . . . . 0.0 111.618 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.31 -48.47 67.5 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.594 -1.316 . . . . 0.0 109.126 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.47 75.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.242 -0.911 . . . . 0.0 110.947 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -55.22 31.66 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.876 -1.14 . . . . 0.0 110.773 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.55 -39.97 94.73 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.953 -1.092 . . . . 0.0 111.695 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -41.66 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.871 -1.143 . . . . 0.0 109.634 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.92 83.94 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 109.617 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 m -59.88 -40.05 87.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.242 -0.911 . . . . 0.0 109.757 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.99 87.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.071 -1.018 . . . . 0.0 110.483 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -59.99 -40.14 88.12 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.961 -1.087 . . . . 0.0 108.888 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -61.09 -40.0 92.04 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.454 -0.899 . . . . 0.0 109.865 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.346 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 18.5 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.367 0.603 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -102.45 -58.64 1.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.479 -0.763 . . . . 0.0 112.371 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.99 -39.98 87.59 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -62.82 -39.97 95.95 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.986 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -23.25 66.01 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.58 81.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.578 -0.701 . . . . 0.0 110.235 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -81.28 -33.54 32.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.714 -1.241 . . . . 0.0 110.388 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -29.99 66.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.115 -0.991 . . . . 0.0 109.986 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.3 t -80.01 -52.05 8.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.136 -0.978 . . . . 0.0 111.174 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.22 -28.52 69.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.326 -1.484 . . . . 0.0 109.398 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.28 -36.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.763 -1.21 . . . . 0.0 110.147 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -69.76 -45.38 68.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.448 -0.783 . . . . 0.0 110.854 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -70.25 -30.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.3 t80 -62.82 -40.03 96.15 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -87.13 -9.3 55.65 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -77.13 -38.77 51.34 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.416 -0.803 . . . . 0.0 109.366 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -105.37 -20.61 13.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.385 -0.822 . . . . 0.0 111.311 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.8 m -70.06 -23.02 63.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.09 -1.006 . . . . 0.0 111.556 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.72 2.61 32.13 Favored Glycine 0 N--CA 1.501 2.995 0 O-C-N 121.092 -1.005 . . . . 0.0 111.127 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 17' ' ' ALA . 46.3 mtpt -87.8 -15.91 35.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.865 -1.374 . . . . 0.0 110.386 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -99.48 -5.07 29.97 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.222 -0.924 . . . . 0.0 110.344 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 98.27 -35.63 4.47 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -71.6 63.97 0.43 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.3 ttpp -80.0 -10.3 59.76 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.191 -178.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -78.2 -8.5 58.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.252 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -176.09 -179.95 1.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 109.534 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' HG ' ' A' ' 19' ' ' SER . 40.6 tp -83.92 165.14 18.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.37 -0.831 . . . . 0.0 109.28 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.422 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 8.6 p -134.46 166.95 21.67 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.908 -1.12 . . . . 0.0 109.829 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.93 -40.02 87.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.22 -0.925 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -76.77 -33.9 58.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.379 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 29' ' ' SER . 94.2 mt-10 -62.39 -44.23 96.94 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.587 -0.695 . . . . 0.0 110.918 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.93 -28.64 65.75 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -60.04 -40.0 87.87 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 109.118 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' O ' ' CG2' ' A' ' 39' ' ' THR . 95.5 m-20 -71.0 -40.0 72.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.83 -1.169 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.95 -41.91 92.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.968 -1.082 . . . . 0.0 110.875 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.4 mt -77.51 -40.06 44.1 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.734 -1.229 . . . . 0.0 110.333 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -70.06 -20.0 63.25 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.0 109.077 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 5.2 p -80.05 -57.44 3.63 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.123 -0.986 . . . . 0.0 110.705 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' B' ' 2' ' ' SER . 22.8 mm-40 -109.98 -29.14 8.38 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.963 -1.085 . . . . 0.0 112.609 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.59 25.79 11.4 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 120.844 -1.16 . . . . 0.0 110.821 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.2 p -60.02 -56.67 18.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.808 -1.182 . . . . 0.0 111.721 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 42' ' ' SER . 74.1 m -66.41 -40.01 89.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.227 -0.92 . . . . 0.0 112.361 -177.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -74.55 -65.4 0.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.576 -1.328 . . . . 0.0 110.783 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -83.03 98.12 9.11 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 29.2 t0 -51.95 123.15 9.71 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.137 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.33 -29.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.382 -0.824 . . . . 0.0 109.692 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -81.67 -57.19 3.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.369 -0.832 . . . . 0.0 111.215 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -60.24 -39.83 88.08 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.89 -1.131 . . . . 0.0 110.151 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -105.03 81.22 1.7 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.823 -1.173 . . . . 0.0 109.39 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -23.16 64.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 108.568 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -68.69 -24.46 64.5 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.84 73.94 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.57 -30.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.989 -1.07 . . . . 0.0 109.235 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -66.54 -40.08 88.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.932 -1.105 . . . . 0.0 108.756 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.35 -40.03 74.3 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.998 0.904 . . . . 0.0 111.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.18 -40.12 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.037 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.11 -25.1 34.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 110.088 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.95 -42.3 93.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.881 -1.137 . . . . 0.0 109.374 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -59.95 -38.11 81.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 63' ' ' GLU . 3.7 mp -74.91 -62.77 1.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.384 0.612 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' C ' ' N ' ' A' ' 64' ' ' ASN . 90.7 m-20 -78.63 40.92 0.39 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 61' ' ' LEU . 84.0 tt0 -52.48 -16.83 0.99 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' N ' ' C ' ' A' ' 62' ' ' ASP . 91.0 m-20 -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.15 30.06 69.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 68' ' ' GLU . 25.7 p-10 -90.03 -0.84 57.8 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.153 -1.204 . . . . 0.0 109.845 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.33 10.05 0.3 Allowed Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 66' ' ' ASP . 42.5 mt-10 -132.52 131.31 41.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.501 -0.999 . . . . 0.0 108.935 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' A' ' 71' ' ' PHE . 21.2 t -99.1 140.38 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.447 -0.783 . . . . 0.0 110.224 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' GLN . 71.4 m-20 -75.88 19.16 0.22 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.395 -0.815 . . . . 0.0 109.439 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 90.2 t80 63.68 -48.47 0.25 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 122.083 -0.385 . . . . 0.0 111.919 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.8 mt-30 -59.9 -39.72 86.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.426 -1.421 . . . . 0.0 108.715 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.78 -39.56 85.32 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.48 -44.86 93.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.84 -40.05 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.42 -1.425 . . . . 0.0 110.566 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -71.75 -36.65 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.448 -1.407 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.53 -56.45 19.88 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.88 -1.138 . . . . 0.0 111.909 -177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.46 -22.3 14.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.871 -0.518 . . . . 0.0 111.251 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.04 -48.01 59.7 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.134 -1.027 . . . . 0.0 109.918 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.99 75.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.18 -0.95 . . . . 0.0 111.204 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.28 -48.81 78.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.697 -1.252 . . . . 0.0 110.307 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 94.6 m -61.25 -40.06 92.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.999 -1.063 . . . . 0.0 110.714 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.19 -45.23 96.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.137 -0.977 . . . . 0.0 110.358 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.82 95.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.585 -0.697 . . . . 0.0 111.455 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 82' ' ' THR . 17.5 p -60.63 -39.98 90.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 0.0 109.508 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 11.5 t-20 -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.384 -0.823 . . . . 0.0 110.444 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -67.77 -38.28 83.19 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.115 -0.991 . . . . 0.0 110.189 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.75 -26.96 64.56 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.294 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.301 -1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.17 -179.636 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.423 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 18.4 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.447 0.641 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.24 -58.49 1.87 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.439 -0.788 . . . . 0.0 112.442 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.01 -40.03 87.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -62.93 -40.01 96.31 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.82 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.1 m -61.87 -22.98 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.9 mmt -81.14 -34.07 32.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.751 -1.218 . . . . 0.0 110.422 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -30.14 67.28 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.083 -1.011 . . . . 0.0 110.124 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -79.81 -52.25 8.14 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.164 -0.96 . . . . 0.0 111.247 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -28.86 69.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.251 -1.531 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.96 -36.6 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.775 -1.203 . . . . 0.0 110.24 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -70.13 -45.05 67.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.209 -0.932 . . . . 0.0 110.986 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.09 -30.86 45.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.3 t80 -62.97 -40.08 96.65 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -87.02 -9.52 55.35 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 21' ' ' LYS . . . -76.89 -38.69 53.1 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -105.47 -20.56 13.44 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.378 -0.826 . . . . 0.0 111.327 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' B' ' 15' ' ' PHE . 75.6 m -70.15 -22.88 62.93 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.125 -0.984 . . . . 0.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.07 3.08 31.51 Favored Glycine 0 N--CA 1.502 3.079 0 O-C-N 120.981 -1.075 . . . . 0.0 111.147 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' B' ' 17' ' ' ALA . 45.5 mtpt -88.14 -15.53 35.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.812 -1.405 . . . . 0.0 110.251 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -99.89 -5.01 29.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 98.45 -36.0 4.26 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -71.45 63.95 0.4 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' GLY . 9.9 ttpp -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.305 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.63 -8.83 59.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.952 -1.093 . . . . 0.0 109.197 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -175.91 179.71 1.29 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.511 -0.743 . . . . 0.0 109.498 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.34 165.05 19.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.347 -0.846 . . . . 0.0 109.344 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 10.0 p -133.78 167.19 20.99 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.95 -1.094 . . . . 0.0 109.766 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.93 -40.04 87.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.285 -0.884 . . . . 0.0 111.269 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.89 -33.62 57.79 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.723 -1.236 . . . . 0.0 110.227 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 29' ' ' SER . 93.9 mt-10 -62.81 -44.06 97.15 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.549 -0.719 . . . . 0.0 110.822 -178.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.91 -28.68 65.81 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.335 -0.853 . . . . 0.0 110.05 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -59.96 -39.93 87.31 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' B' ' 39' ' ' THR . 95.8 m-20 -70.97 -39.92 72.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.907 -1.12 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.14 -41.94 93.8 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.985 -1.072 . . . . 0.0 110.851 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.5 mt -77.34 -40.18 45.0 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.682 -1.261 . . . . 0.0 110.358 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' B' ' 48' ' ' GLN . 97.9 mt-30 -70.11 -20.17 63.2 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.53 -0.731 . . . . 0.0 109.096 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.474 ' H ' ' HG1' ' B' ' 39' ' ' THR . 5.7 p -79.75 -57.66 3.56 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.755 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 2' ' ' SER . 22.0 mm-40 -109.93 -29.11 8.41 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 112.617 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -110.49 25.87 11.3 Favored 'General case' 0 N--CA 1.517 2.917 0 O-C-N 120.857 -1.152 . . . . 0.0 110.845 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' B' ' 43' ' ' SER . 4.3 p -59.92 -57.01 14.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.784 -1.197 . . . . 0.0 111.764 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.51 ' N ' ' OG ' ' B' ' 42' ' ' SER . 69.9 m -66.31 -40.06 89.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 112.28 -177.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.51 -65.84 0.81 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.757 -1.215 . . . . 0.0 110.618 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.86 98.6 9.25 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' B' ' 46' ' ' ASP . 28.0 t0 -52.54 123.04 10.06 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.14 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.21 -30.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.399 -0.813 . . . . 0.0 109.723 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' B' ' 38' ' ' GLN . 2.2 pt20 -81.15 -57.25 3.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.324 -0.86 . . . . 0.0 111.207 -178.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -60.22 -39.99 88.59 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.95 -1.093 . . . . 0.0 110.142 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -105.02 81.62 1.76 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.862 -1.149 . . . . 0.0 109.362 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.41 65.08 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 108.466 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -68.44 -25.1 64.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.92 76.78 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -29.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.939 -1.101 . . . . 0.0 109.379 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.65 -40.02 88.5 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.933 -1.104 . . . . 0.0 108.769 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.35 -40.01 74.34 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.873 0.844 . . . . 0.0 111.29 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -40.0 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.813 -0.554 . . . . 0.0 110.101 -177.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.1 -25.08 34.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.765 -1.209 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.94 -42.3 93.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 109.185 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.05 -38.51 82.99 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -74.48 -62.82 1.39 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.426 0.632 . . . . 0.0 110.614 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' B' ' 64' ' ' ASN . 91.3 m-20 -78.17 40.88 0.35 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.412 -0.805 . . . . 0.0 108.88 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' B' ' 61' ' ' LEU . 83.5 tt0 -52.46 -16.78 0.97 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' B' ' 62' ' ' ASP . 90.7 m-20 -86.37 -3.53 59.01 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.636 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.01 70.09 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' B' ' 68' ' ' GLU . 25.4 p-10 -89.98 -0.99 57.89 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.088 -1.242 . . . . 0.0 109.759 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.52 10.01 0.32 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' B' ' 66' ' ' ASP . 41.8 mt-10 -132.59 131.31 41.33 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.473 -1.016 . . . . 0.0 108.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -99.18 140.13 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.515 -0.741 . . . . 0.0 110.298 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -75.59 19.12 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.518 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 89.3 t80 63.9 -48.71 0.27 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 122.079 -0.388 . . . . 0.0 111.886 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.08 -39.3 85.63 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.395 -1.44 . . . . 0.0 108.747 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.97 -39.6 86.2 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.62 -44.69 93.18 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.04 -40.04 82.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 120.233 -1.542 . . . . 0.0 110.434 -176.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.4 m -71.23 -37.48 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.588 -1.32 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.9 tp -61.06 -56.21 23.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.914 -1.116 . . . . 0.0 112.177 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.6 -22.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.829 -0.545 . . . . 0.0 111.137 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -48.72 57.25 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.179 -1.009 . . . . 0.0 109.86 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.95 77.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 111.129 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.33 -48.59 79.14 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.823 -1.173 . . . . 0.0 110.462 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.518 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 94.6 m -61.69 -40.02 93.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.036 -1.04 . . . . 0.0 110.446 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -45.09 95.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.237 -0.914 . . . . 0.0 110.203 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.89 95.39 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.444 -0.785 . . . . 0.0 111.705 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' B' ' 82' ' ' THR . 17.6 p -60.69 -39.88 90.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.727 -1.233 . . . . 0.0 109.428 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.489 ' N ' ' HG ' ' B' ' 85' ' ' CYS . 11.5 t-20 -60.04 -40.04 88.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.413 -0.804 . . . . 0.0 110.357 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -67.42 -38.65 84.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 110.244 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.63 -26.77 64.58 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.366 -0.834 . . . . 0.0 110.339 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.301 -1.535 0 O-C-N 121.128 -0.982 . . . . 0.0 109.173 -179.581 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.743 0.782 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.53 -58.07 1.94 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.759 -0.588 . . . . 0.0 112.209 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.421 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 61.3 tp -60.25 -40.47 90.42 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.845 -1.159 . . . . 0.0 109.021 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.62 -38.64 91.87 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.048 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -62.01 -21.31 64.77 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.96 76.05 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.418 -0.801 . . . . 0.0 109.772 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.6 mtp -75.46 -39.9 58.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.949 -1.095 . . . . 0.0 110.402 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.13 -35.76 78.63 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.376 0.607 . . . . 0.0 111.318 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 t -73.57 -47.49 40.2 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.319 -0.863 . . . . 0.0 111.614 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -72.09 -26.88 62.32 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.236 -1.54 . . . . 0.0 110.429 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 12' ' ' ILE . 84.0 mt -74.98 -36.02 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.689 -1.257 . . . . 0.0 110.227 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.86 -40.73 65.44 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -33.71 57.59 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.02 -42.59 94.67 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -84.96 -9.38 58.13 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.37 27.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 110.642 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 50.7 t60 -111.55 -37.69 5.14 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.327 -0.858 . . . . 0.0 110.827 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.1 m -52.87 -30.16 32.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.164 -0.96 . . . . 0.0 110.234 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.04 12.32 52.47 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -89.39 -20.04 24.46 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.492 -1.005 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -110.55 -6.1 14.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 111.425 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.85 23.01 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.8 m-20 50.22 40.17 21.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.776 -1.426 . . . . 0.0 108.134 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -71.42 -6.85 43.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.565 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -78.74 -10.06 59.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.7 ttmp? -158.52 160.01 36.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.33 167.61 20.03 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -135.87 161.62 35.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.796 -1.19 . . . . 0.0 109.973 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.78 -39.76 85.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.291 -0.881 . . . . 0.0 110.013 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -70.72 -36.59 73.29 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.039 -1.038 . . . . 0.0 110.581 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 19' ' ' SER . 6.9 mm-40 -60.44 -50.11 74.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.285 -0.884 . . . . 0.0 111.263 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -25.58 65.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.895 -1.128 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 tptp -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 0.0 109.601 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' O ' ' CG2' ' A' ' 39' ' ' THR . 23.6 t0 -73.02 -40.08 65.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.801 -1.187 . . . . 0.0 110.485 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.22 -40.96 95.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.246 -0.909 . . . . 0.0 111.132 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' SER . 22.0 mt -75.61 -40.79 55.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.042 -1.036 . . . . 0.0 110.073 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.558 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -69.93 -20.45 63.35 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 11.7 p -83.93 -57.48 3.18 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.329 -0.857 . . . . 0.0 112.47 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 15.1 mt-10 -111.02 -28.8 8.16 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.775 -1.203 . . . . 0.0 112.753 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -108.46 23.15 14.94 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.965 -1.084 . . . . 0.0 110.323 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' LEU . 82.1 p -60.29 -40.46 90.56 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 110.329 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.5 t -70.02 -45.22 67.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 111.467 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.15 -67.91 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.902 -1.123 . . . . 0.0 110.042 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.23 95.66 7.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.16 89.97 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.453 -0.779 . . . . 0.0 109.924 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.06 -16.21 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.0 -69.86 0.56 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.116 -0.99 . . . . 0.0 112.318 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -50.12 72.87 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.066 -1.021 . . . . 0.0 110.458 -176.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 98.2 m-20 -93.99 76.59 4.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.154 -1.592 . . . . 0.0 109.665 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.07 27.87 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -67.63 -27.66 67.07 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -60.8 -31.84 71.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -26.3 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.928 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -71.15 -40.08 71.56 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 120.787 -1.196 . . . . 0.0 108.26 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -68.67 -39.88 80.42 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.048 0.927 . . . . 0.0 110.055 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.82 78.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.5 mmm -72.69 -30.98 64.69 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.811 0.815 . . . . 0.0 109.822 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -59.9 -44.31 94.34 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.532 0.682 . . . . 0.0 109.704 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -69.94 -39.86 75.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 109.306 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 6.5 mp -67.72 -83.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.644 0.735 . . . . 0.0 109.652 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 37.9 t0 -75.17 55.75 0.76 Allowed 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.22 -13.11 1.15 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.272 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 66.2 t30 -77.32 -14.28 59.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.524 -0.735 . . . . 0.0 109.521 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.16 30.93 71.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 14.9 p30 -91.21 -2.56 57.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.992 -1.299 . . . . 0.0 110.338 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 69.86 1.82 34.24 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -128.38 141.71 51.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.471 -1.017 . . . . 0.0 108.426 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 71' ' ' PHE . 18.6 t -109.77 139.82 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 CA-C-O 121.724 0.773 . . . . 0.0 110.456 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.8 t70 -81.01 25.14 0.47 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.607 -0.683 . . . . 0.0 109.636 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 12.4 p90 55.05 -46.61 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 122.73 0.412 . . . . 0.0 112.058 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.614 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.0 tt0 -59.83 -37.24 78.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.215 -1.553 . . . . 0.0 108.058 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 37.2 mt-10 -60.13 -40.01 88.26 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 109.187 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.93 -49.5 65.35 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.2 -40.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.491 -1.381 . . . . 0.0 111.27 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.61 -40.12 87.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.705 -1.247 . . . . 0.0 112.292 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.14 -57.75 4.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.839 -1.163 . . . . 0.0 112.204 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.7 m -72.36 -23.99 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.162 -0.961 . . . . 0.0 111.835 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.63 60.5 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.842 -1.161 . . . . 0.0 109.514 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.97 95.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.394 -0.816 . . . . 0.0 110.988 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.506 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 60.4 tp -61.02 -40.13 92.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.8 -1.188 . . . . 0.0 110.298 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 23.2 p -64.66 -47.11 79.65 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.135 -0.978 . . . . 0.0 112.976 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -43.67 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.395 -1.441 . . . . 0.0 109.859 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -28.95 68.33 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.365 -0.834 . . . . 0.0 108.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 64.1 m -68.56 -40.14 80.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.327 -0.858 . . . . 0.0 109.549 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 82' ' ' THR . 65.1 m-80 -61.16 -39.83 91.57 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.624 -0.672 . . . . 0.0 110.654 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 46.5 t-20 -74.52 -27.22 60.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.051 -1.031 . . . . 0.0 109.409 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.89 -41.86 92.53 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.245 -0.909 . . . . 0.0 109.267 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.179 178.716 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.711 0.767 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.74 -58.03 1.95 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.727 -0.608 . . . . 0.0 112.37 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.403 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.5 tp -60.37 -40.22 90.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.98 -1.075 . . . . 0.0 109.144 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -38.32 90.64 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.702 -1.199 . . . . 0.0 107.944 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -62.33 -21.23 65.12 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.1 76.64 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.877 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 37.9 mtp -75.26 -39.97 59.31 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.078 -1.014 . . . . 0.0 110.36 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.43 -35.05 77.07 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.334 0.588 . . . . 0.0 111.269 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -74.11 -47.57 35.34 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.241 -0.912 . . . . 0.0 111.606 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -71.87 -27.11 62.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.358 -1.464 . . . . 0.0 110.343 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.43 HD11 HG21 ' B' ' 12' ' ' ILE . 83.1 mt -74.96 -35.66 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.625 -1.297 . . . . 0.0 110.245 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -73.58 -40.13 64.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 109.491 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -33.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' B' ' 19' ' ' SER . 78.7 t80 -60.22 -42.52 95.36 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -85.51 -8.76 58.15 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.89 -32.68 27.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.415 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 52.9 t60 -111.8 -37.02 5.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.35 -0.844 . . . . 0.0 110.773 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.8 m -53.18 -30.3 36.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.984 . . . . 0.0 110.188 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.16 13.07 52.23 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -89.87 -20.1 23.82 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.44 -1.035 . . . . 0.0 109.185 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -110.64 -6.09 14.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.611 -0.681 . . . . 0.0 111.415 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.74 22.92 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.453 -2.259 . . . . 0.0 107.453 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.4 m-20 50.08 40.42 21.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.772 -1.428 . . . . 0.0 108.212 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -71.77 -6.76 43.75 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -78.82 -9.99 59.64 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.7 ttmp? -158.41 160.03 36.41 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.23 167.13 20.69 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.756 -1.215 . . . . 0.0 107.729 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -135.84 161.44 35.59 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.742 -1.224 . . . . 0.0 109.984 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -59.93 -39.51 85.76 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.329 -0.857 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -70.61 -36.53 73.56 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.029 -1.044 . . . . 0.0 110.466 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 19' ' ' SER . 6.7 mm-40 -60.53 -50.47 73.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 111.276 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -25.58 65.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.863 -1.148 . . . . 0.0 110.558 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.569 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.2 tptp -60.26 -40.32 89.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.982 -1.074 . . . . 0.0 109.492 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.438 ' O ' ' CG2' ' B' ' 39' ' ' THR . 22.2 t0 -72.46 -39.81 67.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.837 -1.165 . . . . 0.0 110.765 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.85 -40.73 96.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.112 -0.992 . . . . 0.0 111.02 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.5 mt -75.82 -40.87 54.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.981 -1.074 . . . . 0.0 110.19 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.569 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -69.95 -20.08 63.34 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 11.2 p -84.28 -57.36 3.2 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 112.373 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 15.9 mt-10 -110.97 -29.1 8.05 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.899 -1.125 . . . . 0.0 112.727 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.44 23.38 14.6 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.916 -1.115 . . . . 0.0 110.408 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 79.3 p -60.36 -40.14 89.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.227 -0.921 . . . . 0.0 110.335 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -70.22 -45.26 66.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 111.393 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.39 -67.94 0.64 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.952 -1.092 . . . . 0.0 109.997 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.04 95.44 6.83 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.24 90.54 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.444 -0.785 . . . . 0.0 109.697 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -105.53 -16.08 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -80.19 -69.86 0.56 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.064 -1.022 . . . . 0.0 112.122 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -50.66 70.79 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.429 -176.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 53' ' ' ALA . 97.8 m-20 -93.76 76.99 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.303 -1.498 . . . . 0.0 109.75 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.79 -21.94 32.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.96 -27.31 66.49 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.06 -31.77 71.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -25.85 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.912 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -71.11 -40.08 71.7 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.896 -1.128 . . . . 0.0 108.296 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -68.97 -40.12 79.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.229 1.014 . . . . 0.0 110.008 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -37.03 79.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 72.2 mmm -72.57 -31.1 64.98 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.806 0.812 . . . . 0.0 109.824 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -59.7 -44.49 93.65 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.399 0.619 . . . . 0.0 109.61 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.8 -40.02 76.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.418 -0.801 . . . . 0.0 109.468 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 6.5 mp -67.47 -83.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.711 . . . . 0.0 109.736 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 36.4 t0 -75.04 55.76 0.73 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.13 -13.11 1.09 Allowed 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.292 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' B' ' 62' ' ' ASP . 66.0 t30 -77.16 -14.56 59.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.524 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.33 30.69 71.39 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 15.1 p30 -90.91 -2.71 57.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.22 -1.165 . . . . 0.0 110.215 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.542 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 69.72 2.21 35.36 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -128.86 141.41 51.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.477 -1.014 . . . . 0.0 108.375 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -109.72 139.86 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.718 0.77 . . . . 0.0 110.472 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 72' ' ' GLN . 7.8 t70 -81.01 25.35 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.698 -0.626 . . . . 0.0 109.595 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 13.4 p90 54.83 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.623 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 64.0 tt0 -59.95 -37.1 78.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.175 -1.578 . . . . 0.0 107.893 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 35.6 mt-10 -60.1 -39.9 87.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.58 -50.0 64.5 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 3.6 p -59.24 -40.13 80.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.654 -1.279 . . . . 0.0 111.168 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.416 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 54.6 t -65.16 -40.32 88.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 120.951 -1.093 . . . . 0.0 112.052 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.23 -57.79 4.89 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.797 -1.189 . . . . 0.0 112.329 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.6 m -72.6 -23.72 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.176 -0.953 . . . . 0.0 111.611 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.09 -50.9 60.03 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.827 -1.171 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.02 96.0 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.304 -0.873 . . . . 0.0 111.111 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.503 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 61.7 tp -61.24 -39.85 91.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.896 -1.128 . . . . 0.0 110.278 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.3 p -64.37 -48.67 74.57 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.201 -0.937 . . . . 0.0 112.93 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -43.89 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.502 -1.374 . . . . 0.0 109.925 -178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.78 68.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.344 -0.847 . . . . 0.0 108.948 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 63.7 m -68.71 -40.23 80.09 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.547 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -60.67 -40.26 91.43 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.542 -0.724 . . . . 0.0 110.495 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 46.8 t-20 -74.57 -27.01 60.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.925 -1.109 . . . . 0.0 109.405 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.88 -41.72 92.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.234 -0.916 . . . . 0.0 109.351 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 C--N 1.302 -1.466 0 O-C-N 121.199 -0.938 . . . . 0.0 109.14 178.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.861 0 N-CA-C 119.687 2.635 . . . . 0.0 119.687 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 t -105.76 16.56 25.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.404 -1.057 . . . . 0.0 109.144 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 44.0 mt-10 -60.82 -46.75 89.3 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.334 -0.854 . . . . 0.0 109.664 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -74.4 -40.07 62.27 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.25 -40.04 93.47 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 2' ' ' SER . 19.8 m -63.27 -22.0 66.59 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.8 74.59 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.012 0.911 . . . . 0.0 109.505 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ttt -77.5 -37.22 51.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.438 -0.789 . . . . 0.0 110.288 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.98 -36.1 74.94 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.518 -0.739 . . . . 0.0 110.915 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -71.86 -54.21 10.82 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 111.412 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -29.04 68.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.257 -1.527 . . . . 0.0 109.556 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.93 -34.28 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.587 -1.321 . . . . 0.0 110.456 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.47 -46.7 53.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.114 -0.991 . . . . 0.0 110.844 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.08 -32.89 60.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 56.0 t80 -61.04 -40.03 92.05 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -89.36 -4.55 58.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.99 -38.88 24.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.251 -0.905 . . . . 0.0 109.251 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 89.2 m-70 -102.32 -34.71 9.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.392 -0.817 . . . . 0.0 110.48 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -61.25 -40.0 92.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.12 -0.988 . . . . 0.0 110.645 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.07 86.12 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -80.46 -20.38 43.88 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.412 -1.052 . . . . 0.0 109.417 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -94.35 -6.57 43.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.714 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 96.0 -38.86 2.97 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.71 70.04 0.93 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLY . 27.3 ttmt -79.51 -11.89 59.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.813 -0.554 . . . . 0.0 110.292 -177.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -92.2 -15.36 27.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.056 -1.027 . . . . 0.0 109.972 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.94 145.6 31.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.068 -1.02 . . . . 0.0 109.154 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.47 166.86 18.98 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.9 t -137.05 167.56 21.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.966 -1.083 . . . . 0.0 110.257 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.14 84.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 111.461 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -75.73 -32.95 60.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.659 -1.276 . . . . 0.0 111.04 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 29' ' ' SER . 61.8 mt-10 -61.61 -49.96 74.51 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.068 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.17 -31.38 72.54 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.386 -0.821 . . . . 0.0 110.4 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -59.96 -39.96 87.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 108.823 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 18' ' ' HIS . 19.5 t70 -68.58 -40.39 80.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.587 0.708 . . . . 0.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.64 -41.23 98.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.989 -1.069 . . . . 0.0 112.014 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -78.98 -41.75 28.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.674 -1.266 . . . . 0.0 111.493 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.547 -0.72 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 2.3 p -76.35 -57.96 3.56 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.139 -0.976 . . . . 0.0 111.439 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 7.6 mt-10 -110.97 -28.09 8.5 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.048 . . . . 0.0 112.446 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.5 28.15 8.66 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.935 -1.103 . . . . 0.0 110.755 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -60.03 -50.3 74.26 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.935 -1.103 . . . . 0.0 110.957 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -63.84 -39.96 95.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.205 -0.935 . . . . 0.0 111.809 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -76.98 -69.22 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.793 -1.192 . . . . 0.0 110.331 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.42 98.26 9.4 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -57.68 139.35 53.96 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -163.53 -52.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.885 -1.135 . . . . 0.0 110.065 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -61.29 -41.91 97.75 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.83 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -71.88 -39.92 69.29 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.831 -1.168 . . . . 0.0 109.354 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -103.22 83.95 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.192 -0.942 . . . . 0.0 109.227 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -24.12 64.2 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.907 -1.121 . . . . 0.0 108.726 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.03 -28.93 67.0 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.28 75.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.889 -0.507 . . . . 0.0 109.799 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -75.83 -29.0 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.878 -1.139 . . . . 0.0 110.326 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -68.92 -42.04 77.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.794 1.283 . . . . 0.0 108.698 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.07 -40.05 86.98 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -40.03 84.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.096 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.3 -26.03 58.38 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.924 -1.11 . . . . 0.0 109.079 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.87 -43.89 90.95 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.173 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.11 -40.01 95.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.96 . . . . 0.0 108.519 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 5.2 mp -71.53 -56.17 6.42 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.74 0.781 . . . . 0.0 109.103 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.5 m-20 -81.95 42.42 0.72 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.07 -22.92 4.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 62' ' ' ASP . 75.9 m-20 -79.75 -8.76 59.45 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.635 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 69.07 34.79 76.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' A' ' 68' ' ' GLU . 43.0 p-10 -92.02 -0.05 57.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.209 -1.171 . . . . 0.0 110.959 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.04 5.13 0.56 Allowed Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.8 mt-10 -129.67 151.94 49.72 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.22 150.59 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 121.451 0.643 . . . . 0.0 110.31 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.8 18.87 7.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 109.707 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 46.9 t80 62.6 -42.25 0.18 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 122.071 -0.393 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . 60.2 tt0 -65.53 -40.07 92.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.508 -1.37 . . . . 0.0 108.99 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 81.2 mt-10 -60.14 -40.0 88.29 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.284 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -59.93 -39.81 81.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.882 -1.136 . . . . 0.0 111.402 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.23 -40.02 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.473 -1.392 . . . . 0.0 111.581 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.78 -57.47 6.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.844 -1.16 . . . . 0.0 111.419 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.09 -22.49 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.885 -1.135 . . . . 0.0 110.99 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -49.03 75.48 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.77 -1.206 . . . . 0.0 109.24 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.33 75.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 112.255 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.7 -46.83 74.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.565 -1.334 . . . . 0.0 111.919 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 14.3 t -69.41 -40.1 77.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.875 -1.141 . . . . 0.0 110.383 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 82' ' ' THR . 54.6 t -59.95 -41.08 84.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.876 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.87 94.3 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.643 . . . . 0.0 109.622 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -41.25 91.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.765 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.11 -40.13 88.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.685 -1.26 . . . . 0.0 109.732 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -71.65 -24.68 61.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.626 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.04 -45.33 93.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 85.2 m-85 -71.13 -36.38 72.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.186 -0.947 . . . . 0.0 109.249 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -70.8 -34.35 71.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 110.551 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.17 -40.18 89.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.077 -1.015 . . . . 0.0 110.872 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' SER . 50.8 p30 -88.63 -2.43 58.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.906 -1.121 . . . . 0.0 109.736 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.662 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.712 2.645 . . . . 0.0 119.712 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 1.3 t -106.06 16.58 24.82 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.351 -1.088 . . . . 0.0 108.984 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 44.9 mt-10 -60.86 -46.71 89.51 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.363 -0.836 . . . . 0.0 109.612 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.461 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.4 tt -74.39 -40.05 62.3 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.41 -39.95 92.77 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.6 m -63.31 -21.83 66.5 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.98 74.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.095 0.95 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.38 -37.17 52.66 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.477 -0.764 . . . . 0.0 110.379 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.05 -36.34 74.92 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.541 -0.724 . . . . 0.0 110.931 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -71.85 -54.39 10.27 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.355 -0.841 . . . . 0.0 111.302 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -29.06 68.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.252 -1.53 . . . . 0.0 109.446 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.95 -34.06 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.668 -1.27 . . . . 0.0 110.561 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -73.05 -46.37 52.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.835 -1.166 . . . . 0.0 110.8 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.53 -33.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 55.8 t80 -61.0 -39.99 91.83 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -89.76 -3.45 58.16 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.84 -38.87 22.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.159 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 89.0 m-70 -102.45 -34.46 9.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.383 -0.823 . . . . 0.0 110.48 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -61.41 -39.96 92.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.15 -0.969 . . . . 0.0 110.627 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.23 -1.98 85.93 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -80.71 -20.21 43.35 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.515 -0.991 . . . . 0.0 109.319 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -94.52 -6.46 43.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 109.708 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 95.88 -38.75 3.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.74 70.01 0.94 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.9 ttmt -79.54 -11.85 59.88 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.935 -0.478 . . . . 0.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -91.97 -16.01 27.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.063 -1.023 . . . . 0.0 109.89 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 145.3 31.76 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.0 -1.063 . . . . 0.0 109.174 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.0 tp -82.16 166.89 19.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.529 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 34.8 t -136.14 168.88 18.55 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.9 -1.125 . . . . 0.0 110.257 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -40.5 89.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.61 -0.682 . . . . 0.0 111.329 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -76.01 -32.81 59.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.729 -1.232 . . . . 0.0 111.135 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' B' ' 29' ' ' SER . 61.8 mt-10 -61.54 -50.0 74.43 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.392 -0.818 . . . . 0.0 110.963 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -31.48 72.67 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.45 -0.781 . . . . 0.0 110.378 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.94 -40.0 87.44 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.271 -0.893 . . . . 0.0 108.793 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' CE1' ' B' ' 18' ' ' HIS . 19.2 t70 -68.75 -39.0 80.51 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.466 0.651 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.29 -40.8 94.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.014 -1.054 . . . . 0.0 111.878 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.0 -41.86 27.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.633 -1.292 . . . . 0.0 111.522 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.01 -19.98 63.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 2.4 p -76.24 -58.21 3.41 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.095 -1.003 . . . . 0.0 111.465 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 7.9 mt-10 -110.9 -27.9 8.61 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.047 -1.033 . . . . 0.0 112.573 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.66 28.21 8.64 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.909 -1.119 . . . . 0.0 110.705 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.4 t -60.05 -50.11 75.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.924 -1.11 . . . . 0.0 110.923 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.9 m -63.93 -40.08 95.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.271 -0.893 . . . . 0.0 111.756 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -77.02 -69.28 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.767 -1.208 . . . . 0.0 110.321 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -83.32 98.3 9.37 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.74 139.2 54.48 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -163.53 -52.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.907 -1.121 . . . . 0.0 110.047 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.2 -41.8 97.46 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.884 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.0 -39.64 69.09 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.363 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -103.34 83.74 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.277 -0.889 . . . . 0.0 109.287 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.1 64.34 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.88 -1.137 . . . . 0.0 108.738 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.93 -29.32 67.55 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.33 76.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.0 p -75.1 -29.02 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.897 -1.127 . . . . 0.0 110.435 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -69.27 -41.8 76.39 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.733 1.254 . . . . 0.0 108.59 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.31 -40.0 85.97 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -39.97 85.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.075 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ptm -75.54 -26.02 57.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.821 -1.175 . . . . 0.0 109.048 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.543 -0.723 . . . . 0.0 109.126 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 0.0 108.511 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.4 mp -71.48 -56.28 6.24 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.766 0.793 . . . . 0.0 109.146 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 94.7 m-20 -81.88 42.64 0.72 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -52.35 -22.57 4.73 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 75.9 m-20 -79.9 -8.85 59.54 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.679 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.97 77.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.8 p-10 -92.24 -0.03 57.43 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.271 -1.135 . . . . 0.0 110.917 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.8 5.44 0.57 Allowed Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.2 mt-10 -129.59 151.86 49.74 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.407 HG12 ' H ' ' B' ' 71' ' ' PHE . 23.3 t -122.2 150.51 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-O 121.426 0.631 . . . . 0.0 110.373 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.0 m-20 -91.74 18.73 7.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.51 -0.744 . . . . 0.0 109.691 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 47.0 t80 62.74 -42.55 0.18 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.961 -0.462 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 60.1 tt0 -65.39 -39.98 92.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.521 -1.362 . . . . 0.0 109.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 81.0 mt-10 -60.08 -40.03 88.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.923 -1.11 . . . . 0.0 108.339 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.24 -48.38 81.7 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -59.99 -39.96 81.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.786 -1.196 . . . . 0.0 111.333 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.56 -40.02 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.803 -1.186 . . . . 0.0 111.619 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.25 -57.5 5.88 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.773 -1.204 . . . . 0.0 111.435 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -70.06 -22.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.869 -1.144 . . . . 0.0 111.026 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.41 74.65 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.704 -1.247 . . . . 0.0 109.206 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.42 76.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 112.221 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.73 -46.78 74.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.552 -1.343 . . . . 0.0 112.007 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.2 t -69.52 -40.1 77.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.842 -1.161 . . . . 0.0 110.337 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 108.72 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.78 94.03 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.693 -0.63 . . . . 0.0 109.712 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.347 -0.845 . . . . 0.0 110.66 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.07 -40.13 88.44 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.683 -1.261 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.72 -24.5 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.212 -0.93 . . . . 0.0 109.672 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.03 -45.47 92.72 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.304 -0.872 . . . . 0.0 109.74 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.482 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 83.9 m-85 -70.95 -36.42 72.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.23 -0.919 . . . . 0.0 109.295 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -70.86 -34.26 71.46 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.212 -0.93 . . . . 0.0 110.497 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.03 -40.55 89.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.055 -1.028 . . . . 0.0 110.825 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.8 p30 -88.3 -2.54 58.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.985 -1.072 . . . . 0.0 109.866 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.629 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.927 0 N-CA-C 119.396 2.518 . . . . 0.0 119.396 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 6' ' ' THR . 17.5 t -103.49 -66.7 0.93 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.351 -1.088 . . . . 0.0 110.838 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.63 -56.85 3.61 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.33 -0.856 . . . . 0.0 111.587 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.5 OUTLIER -60.9 -45.7 93.56 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.191 -0.943 . . . . 0.0 109.693 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 60.7 tt0 -63.15 -40.04 96.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.277 -0.89 . . . . 0.0 109.054 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 2' ' ' SER . 9.1 m -63.61 -21.07 66.16 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.3 77.59 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.619 -0.675 . . . . 0.0 110.8 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.27 -36.52 29.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.638 -1.289 . . . . 0.0 110.401 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 64.2 mm-40 -69.9 -34.08 73.04 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.337 -0.852 . . . . 0.0 110.466 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -75.38 -45.03 41.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.392 -0.817 . . . . 0.0 112.054 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 2.8 pp -72.5 -28.33 62.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.119 -1.613 . . . . 0.0 109.221 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.99 -39.2 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.188 -0.945 . . . . 0.0 109.777 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.4 m-20 -70.04 -41.03 74.77 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.877 0.846 . . . . 0.0 110.33 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -27.74 23.14 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.5 m-85 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -85.86 -10.43 55.36 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.565 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.89 53.45 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.912 -1.117 . . . . 0.0 109.421 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.42 -21.59 14.23 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.391 -0.818 . . . . 0.0 111.446 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 58.8 m -67.59 -33.01 74.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.983 -1.073 . . . . 0.0 110.825 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.36 2.35 63.01 Favored Glycine 0 N--CA 1.498 2.772 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -70.05 -32.12 70.08 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.19 -7.44 42.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.636 -0.665 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.61 -15.05 64.15 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 27' ' ' LYS . 57.2 t0 -84.84 56.04 3.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.123 -1.222 . . . . 0.0 107.767 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -76.71 -7.13 54.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.948 -0.47 . . . . 0.0 110.902 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.93 -14.31 48.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.765 -1.209 . . . . 0.0 108.733 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' ASP . 16.4 ttmm -160.04 160.03 32.72 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.1 tp -83.51 163.96 20.13 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.824 -1.173 . . . . 0.0 108.115 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -136.82 167.83 20.71 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.717 -1.239 . . . . 0.0 110.822 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.97 -39.9 87.26 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.39 -0.819 . . . . 0.0 112.285 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -76.19 -29.99 57.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.43 -1.419 . . . . 0.0 110.335 -178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.32 -46.64 72.88 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.245 -0.91 . . . . 0.0 111.502 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.71 -35.68 75.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.274 -0.891 . . . . 0.0 110.845 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.11 -39.87 87.72 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.921 -1.112 . . . . 0.0 109.439 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 60.1 t0 -62.21 -39.28 92.23 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.491 -0.756 . . . . 0.0 110.075 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.95 -39.15 87.19 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.332 -0.855 . . . . 0.0 111.722 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 44.3 mt -78.16 -43.18 29.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.425 -1.422 . . . . 0.0 111.472 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.73 -19.2 65.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.667 -0.645 . . . . 0.0 111.041 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -94.99 -45.23 7.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.859 -1.151 . . . . 0.0 111.164 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 2.8 mt-10 -108.32 -34.24 6.86 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.737 -1.227 . . . . 0.0 112.859 -177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.41 26.59 10.42 Favored 'General case' 0 N--CA 1.516 2.843 0 O-C-N 121.019 -1.05 . . . . 0.0 110.747 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 t -60.02 -47.35 86.22 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 m -61.54 -40.08 93.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.145 -0.972 . . . . 0.0 111.367 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -79.8 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.81 -1.181 . . . . 0.0 109.559 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 10.5 mp -84.04 98.43 9.85 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.09 140.02 57.12 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 118.507 -1.277 . . . . 0.0 107.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.417 ' H ' ' NE2' ' A' ' 48' ' ' GLN . 1.3 p -160.24 -53.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.118 . . . . 0.0 110.651 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.92 -42.79 94.7 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.651 -178.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -71.91 -40.23 68.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.828 -1.17 . . . . 0.0 109.216 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -106.75 85.16 2.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.998 -1.064 . . . . 0.0 109.498 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.88 57.38 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.128 -0.982 . . . . 0.0 108.631 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 19.4 p-10 -77.25 -19.9 55.94 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.722 -1.236 . . . . 0.0 108.05 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.85 76.75 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.31 -27.62 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.584 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.58 -40.07 84.84 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.403 1.097 . . . . 0.0 108.124 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.91 -40.14 75.78 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.388 1.089 . . . . 0.0 110.73 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mtp -73.53 -29.98 62.8 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.867 0.841 . . . . 0.0 109.223 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -50.79 -41.64 57.26 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.479 -0.763 . . . . 0.0 109.277 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 -30.06 64.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.026 -1.046 . . . . 0.0 109.727 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.9 mp -68.53 -160.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.315 -0.866 . . . . 0.0 109.69 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.635 ' C ' ' H ' ' A' ' 64' ' ' ASN . 65.6 t0 -64.38 58.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.817 . . . . 0.0 110.561 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LEU . 33.5 tt0 -74.24 37.35 0.1 Allowed 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.635 ' H ' ' C ' ' A' ' 62' ' ' ASP . 8.0 t-20 -85.85 -4.97 59.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 11.07 15.59 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.597 ' C ' ' H ' ' A' ' 68' ' ' GLU . 45.4 t0 -70.05 -44.18 69.69 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.729 -0.865 . . . . 0.0 110.527 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.11 -7.74 9.77 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.597 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.9 mt-10 -122.98 131.37 53.68 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 t -96.14 143.61 11.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.507 -0.745 . . . . 0.0 110.01 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.0 t70 -83.73 29.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.468 -0.77 . . . . 0.0 111.3 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 61.01 -57.3 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.684 -0.635 . . . . 0.0 111.258 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 tt0 -60.04 -39.39 85.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.711 -1.243 . . . . 0.0 109.734 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.879 -1.138 . . . . 0.0 109.894 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.89 -47.74 61.33 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.34 -0.85 . . . . 0.0 113.232 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -59.99 -40.01 81.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.696 -1.253 . . . . 0.0 111.285 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.01 -39.96 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.646 -1.284 . . . . 0.0 111.293 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.37 -56.65 12.96 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.224 -0.923 . . . . 0.0 110.735 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -72.35 -20.98 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.407 -0.808 . . . . 0.0 111.293 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.55 19.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.979 -1.076 . . . . 0.0 109.757 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.96 94.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.427 -0.796 . . . . 0.0 111.203 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.39 -41.85 97.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.788 -1.195 . . . . 0.0 111.109 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -69.2 -39.24 78.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.936 -1.103 . . . . 0.0 110.548 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.13 -42.33 89.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.402 -0.812 . . . . 0.0 109.63 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.99 78.19 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.48 -0.763 . . . . 0.0 110.061 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.77 -38.83 82.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.201 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -39.2 85.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 94.3 m-20 -65.67 -39.96 91.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.029 -1.045 . . . . 0.0 109.478 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.32 -35.23 79.68 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.392 -0.818 . . . . 0.0 109.831 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -69.15 -22.87 63.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.336 -0.852 . . . . 0.0 109.131 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -63.69 -41.49 98.13 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.524 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 52.4 mp0 -65.37 -40.03 93.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.061 -1.024 . . . . 0.0 109.002 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.0 -40.03 87.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 109.052 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.302 -1.457 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.44 -179.732 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.477 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.504 2.562 . . . . 0.0 119.504 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.445 ' O ' ' OG1' ' B' ' 6' ' ' THR . 18.3 t -103.47 -66.43 0.94 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.29 -1.123 . . . . 0.0 110.955 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -82.88 -56.53 3.76 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.244 -0.91 . . . . 0.0 111.462 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.502 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -60.75 -46.01 92.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.263 -0.898 . . . . 0.0 109.704 -178.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 60.2 tt0 -62.91 -40.06 96.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.357 -0.84 . . . . 0.0 109.08 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 2' ' ' SER . 11.8 m -63.79 -21.02 66.22 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.19 77.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.643 -0.661 . . . . 0.0 110.853 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -81.18 -37.14 29.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.591 -1.318 . . . . 0.0 110.446 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 63.1 mm-40 -69.31 -33.95 73.93 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.365 -0.835 . . . . 0.0 110.601 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -75.68 -45.34 37.48 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 111.931 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 2.7 pp -72.02 -28.44 63.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.075 -1.641 . . . . 0.0 109.154 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -70.06 -38.91 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.096 -1.003 . . . . 0.0 109.923 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -70.47 -40.73 73.5 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.93 0.871 . . . . 0.0 110.475 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -27.57 23.04 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 1.5 m-85 -64.34 -39.99 94.98 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -85.75 -10.75 55.08 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.26 54.93 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 120.932 -1.105 . . . . 0.0 109.458 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -102.68 -21.7 14.07 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.449 -0.782 . . . . 0.0 111.416 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 64.1 m -67.55 -32.83 73.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.017 -1.052 . . . . 0.0 110.805 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 2.57 62.55 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -70.03 -32.13 70.11 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -94.28 -7.4 42.06 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.582 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.8 -15.2 63.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' LYS . 57.3 t0 -84.82 55.98 3.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.125 -1.221 . . . . 0.0 107.861 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.61 -7.42 55.22 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.888 -0.507 . . . . 0.0 110.772 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -84.5 -14.53 48.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.213 . . . . 0.0 108.739 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 24' ' ' ASP . 16.1 ttmm -160.19 160.01 32.3 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.34 163.84 20.39 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.77 -1.206 . . . . 0.0 108.137 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -136.41 168.13 20.02 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.737 -1.227 . . . . 0.0 110.679 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.42 ' HZ1' HG23 ' B' ' 54' ' ' VAL . 60.9 tttp -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.355 -0.841 . . . . 0.0 112.329 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -76.25 -29.94 57.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.487 -1.383 . . . . 0.0 110.432 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.37 -46.77 72.38 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.321 -0.862 . . . . 0.0 111.485 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.65 -35.47 75.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 110.939 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.06 -40.05 88.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.98 -1.075 . . . . 0.0 109.352 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 60.7 t0 -62.86 -37.4 86.7 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.474 -0.766 . . . . 0.0 110.354 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.34 -38.94 81.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 111.742 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 42' ' ' SER . 40.0 mt -78.4 -43.34 27.71 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.416 -1.428 . . . . 0.0 111.42 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -65.19 -19.86 66.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.619 -0.676 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 5.0 t -94.54 -45.02 7.58 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.775 -1.203 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 2.8 mt-10 -108.35 -34.58 6.76 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.659 -1.276 . . . . 0.0 112.867 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -112.18 26.66 10.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.037 -1.039 . . . . 0.0 110.716 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' B' ' 37' ' ' LEU . 14.3 t -59.92 -47.62 85.03 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.344 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -61.53 -40.0 93.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.252 -0.905 . . . . 0.0 111.523 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.81 -69.67 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.743 -1.223 . . . . 0.0 109.502 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' B' ' 45' ' ' LEU . 10.8 mp -84.35 98.21 9.89 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.97 139.93 57.09 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.613 -1.235 . . . . 0.0 107.884 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.402 ' H ' ' NE2' ' B' ' 48' ' ' GLN . 1.4 p -160.37 -53.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.92 -1.113 . . . . 0.0 110.646 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.466 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.0 -42.59 94.59 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.879 -1.128 . . . . 0.0 109.617 -178.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -72.11 -39.97 68.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.766 -1.208 . . . . 0.0 109.14 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -106.77 84.91 2.07 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.011 -1.056 . . . . 0.0 109.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.51 54.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.12 -0.988 . . . . 0.0 108.694 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 19.3 p-10 -77.59 -19.95 54.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.714 -1.241 . . . . 0.0 108.015 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.76 76.58 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.42 HG23 ' HZ1' ' B' ' 30' ' ' LYS . 6.2 p -76.3 -27.43 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.509 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -67.92 -40.1 83.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.413 1.101 . . . . 0.0 108.11 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.92 -40.08 75.78 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.347 1.07 . . . . 0.0 110.74 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -39.97 84.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtp -73.47 -29.88 62.81 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.861 . . . . 0.0 109.356 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -50.77 -41.82 57.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.554 -0.717 . . . . 0.0 109.24 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -72.11 -30.17 64.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.021 . . . . 0.0 109.881 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.7 mp -68.5 -160.43 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.28 -0.887 . . . . 0.0 109.55 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.615 ' C ' ' H ' ' B' ' 64' ' ' ASN . 65.4 t0 -64.46 57.97 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 0.0 110.534 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 61' ' ' LEU . 32.8 tt0 -74.3 37.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.615 ' H ' ' C ' ' B' ' 62' ' ' ASP . 7.9 t-20 -86.0 -4.94 59.28 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 10.88 16.0 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.605 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.7 t0 -70.0 -44.42 69.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.786 -0.832 . . . . 0.0 110.579 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 -8.12 10.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 106.793 -2.523 . . . . 0.0 106.793 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.605 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.4 mt-10 -122.69 131.48 53.81 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 t -96.3 143.74 11.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.519 -0.738 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' B' ' 72' ' ' GLN . 8.0 t70 -84.15 30.27 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 111.29 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 60.9 -57.24 0.09 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.736 -0.602 . . . . 0.0 111.319 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.7 tt0 -60.03 -39.56 86.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.696 -1.253 . . . . 0.0 109.77 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.871 -1.143 . . . . 0.0 109.98 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -69.84 -47.7 61.72 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 p -60.1 -39.91 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.114 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -69.82 -40.0 78.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.088 -1.008 . . . . 0.0 111.176 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.78 -56.67 12.14 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.087 -1.008 . . . . 0.0 110.873 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -72.32 -20.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.46 -0.775 . . . . 0.0 111.187 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.46 -54.58 19.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.067 -1.021 . . . . 0.0 109.842 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.1 95.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 111.103 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.72 -42.36 97.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.811 -1.18 . . . . 0.0 111.114 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -68.86 -39.65 79.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.879 -1.138 . . . . 0.0 110.445 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.86 -42.17 88.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.514 -0.741 . . . . 0.0 109.588 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.98 78.26 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.78 -38.95 83.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.898 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.01 -39.15 84.82 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.507 -0.745 . . . . 0.0 110.224 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.435 ' O ' ' OE1' ' B' ' 91' ' ' GLU . 94.5 m-20 -65.75 -40.04 91.67 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.892 -1.13 . . . . 0.0 109.464 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.19 -35.24 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.399 -0.813 . . . . 0.0 109.868 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.93 -23.21 64.13 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 0.0 109.112 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.201 -0.937 . . . . 0.0 109.549 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 52.5 mp0 -65.54 -39.94 92.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.091 -1.005 . . . . 0.0 108.892 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.229 -0.919 . . . . 0.0 109.113 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.514 -179.612 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.807 0 N-CA-C 119.354 2.501 . . . . 0.0 119.354 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 6' ' ' THR . 70.6 m -75.12 18.28 0.2 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -1.148 . . . . 0.0 108.824 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 1' ' ' GLY . 75.2 mt-10 -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.95 -40.04 75.67 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.32 -40.01 89.65 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.726 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.1 m -66.68 -21.03 66.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.6 78.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.361 0.6 . . . . 0.0 110.593 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 8' ' ' MET . 1.2 mpt? -81.82 -39.14 24.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.595 -1.316 . . . . 0.0 110.522 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 78.5 mm-40 -69.64 -28.13 65.64 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 120.918 -1.114 . . . . 0.0 110.907 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 6' ' ' THR . 9.6 t -80.15 -47.66 14.39 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.464 -0.772 . . . . 0.0 111.852 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.32 -27.95 66.73 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 117.864 -1.534 . . . . 0.0 108.589 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 8' ' ' MET . 6.0 mm -70.04 -40.07 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 121.593 0.711 . . . . 0.0 110.27 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 12.6 m120 -67.05 -39.95 87.03 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.976 0.893 . . . . 0.0 109.778 -178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -28.5 20.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -89.93 -10.0 46.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.04 56.59 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 119.151 -1.02 . . . . 0.0 109.043 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CE1' ' HZ2' ' A' ' 31' ' ' LYS . 54.3 t-80 -101.27 -38.57 8.02 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.477 -0.764 . . . . 0.0 111.213 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -60.11 -35.88 76.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.042 -1.036 . . . . 0.0 110.44 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.74 6.71 77.22 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -84.49 -25.39 28.91 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.619 -0.93 . . . . 0.0 109.629 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -96.77 -7.02 34.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.437 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.08 -25.59 26.31 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.33 61.72 2.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' CB ' ' HZ2' ' A' ' 25' ' ' LYS . 1.5 ttmp? -80.14 -15.12 57.78 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.456 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -83.24 -14.72 52.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.871 -1.143 . . . . 0.0 109.172 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.61 153.7 33.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.231 -0.918 . . . . 0.0 109.702 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -82.66 165.79 19.7 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.6 m -133.58 162.86 30.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.983 -1.073 . . . . 0.0 110.094 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.72 -39.97 86.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.288 -0.882 . . . . 0.0 110.922 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HZ2' ' CE1' ' A' ' 18' ' ' HIS . 13.1 tmtt? -78.18 -32.02 49.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.606 -1.309 . . . . 0.0 110.449 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.49 -47.07 87.31 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.138 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.48 -31.82 70.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -65.26 -32.53 74.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.081 -1.012 . . . . 0.0 109.683 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 39' ' ' THR . 11.6 t70 -67.88 -40.03 83.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.358 -0.839 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.71 -40.08 84.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.18 -0.95 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.6 -43.87 58.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.741 -1.225 . . . . 0.0 111.622 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.31 -21.67 63.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.323 -0.861 . . . . 0.0 109.485 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 6.0 p -80.01 -52.33 7.96 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.24 -0.912 . . . . 0.0 111.456 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -113.65 -27.36 7.87 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.052 -1.03 . . . . 0.0 113.252 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.65 23.97 13.54 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 120.867 -1.145 . . . . 0.0 110.972 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.7 p -59.97 -37.98 81.18 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.037 -1.039 . . . . 0.0 110.26 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 t -68.9 -41.35 78.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.058 -1.026 . . . . 0.0 111.171 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.97 -70.01 0.55 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.686 -1.259 . . . . 0.0 110.404 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.1 mp -81.65 93.66 6.8 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 32.0 p-10 -58.03 92.46 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.4 p -106.35 -18.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.452 -0.78 . . . . 0.0 109.974 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.31 -57.74 2.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 111.643 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.94 -49.36 77.97 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.952 -177.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 53' ' ' ALA . 92.3 m-20 -95.28 78.4 3.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.345 -1.472 . . . . 0.0 109.665 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.95 -19.67 19.33 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -67.76 -34.88 77.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.643 -0.661 . . . . 0.0 109.313 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -78.23 -29.05 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.339 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -65.46 -39.89 92.55 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.547 1.165 . . . . 0.0 108.176 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.93 -40.02 75.76 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.655 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.0 ppp? -83.04 -25.69 31.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.586 -1.321 . . . . 0.0 110.46 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -35.47 75.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.6 mp -80.58 -69.94 0.56 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.706 0.765 . . . . 0.0 110.332 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' GLY . 92.7 m-20 -69.17 44.62 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.749 -0.594 . . . . 0.0 110.224 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' LEU . 58.2 mm-40 -57.66 -18.13 18.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -80.04 -3.21 47.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.79 32.7 85.09 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.9 p-10 -90.05 -0.07 57.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.008 -1.29 . . . . 0.0 110.606 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.21 4.35 0.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -128.55 139.66 52.18 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.95 147.37 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 CA-C-O 121.57 0.7 . . . . 0.0 110.296 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 84.7 m-20 -81.77 8.23 10.62 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.564 -0.71 . . . . 0.0 111.354 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 18.0 t80 82.01 -60.63 0.19 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.799 -0.563 . . . . 0.0 111.235 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.96 -36.89 78.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.036 -1.04 . . . . 0.0 110.179 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -60.03 -39.91 87.5 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.905 -1.122 . . . . 0.0 108.592 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.98 -40.11 79.01 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 112.772 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 p -60.02 -40.14 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.204 -1.56 . . . . 0.0 110.201 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.02 -39.69 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 110.388 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.93 -56.8 17.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.445 -0.784 . . . . 0.0 112.483 -176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.1 m -79.94 -20.46 12.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.815 . . . . 0.0 111.159 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.45 -46.78 72.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.828 -1.17 . . . . 0.0 109.363 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.92 -40.04 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.018 -1.051 . . . . 0.0 110.943 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.99 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.998 -1.064 . . . . 0.0 110.9 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.9 m -61.47 -40.09 93.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.396 -0.815 . . . . 0.0 110.924 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.96 -42.96 91.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.411 -0.806 . . . . 0.0 109.553 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.34 85.18 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.563 -0.711 . . . . 0.0 109.883 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.79 . . . . 0.0 110.185 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.77 -38.62 78.89 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.12 -20.67 55.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.903 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.03 -42.22 93.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.046 -1.034 . . . . 0.0 110.332 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.41 -14.64 56.9 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.127 -0.983 . . . . 0.0 109.659 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -73.49 -21.67 60.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.895 . . . . 0.0 110.589 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.1 -37.29 79.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.884 -1.135 . . . . 0.0 109.443 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.97 -39.98 87.53 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.326 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.548 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.764 0 N-CA-C 119.425 2.53 . . . . 0.0 119.425 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.551 ' O ' ' N ' ' B' ' 6' ' ' THR . 70.7 m -74.94 18.39 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.142 -1.211 . . . . 0.0 108.84 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 1' ' ' GLY . 75.2 mt-10 -60.11 -49.28 78.29 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.91 -40.06 75.8 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.33 -39.91 89.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.551 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.7 m -66.6 -21.18 66.13 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.47 78.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.683 -0.636 . . . . 0.0 110.639 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 8' ' ' MET . 1.2 mpt? -81.83 -39.27 24.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.688 -1.258 . . . . 0.0 110.426 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 78.4 mm-40 -69.48 -28.32 65.98 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.942 -1.099 . . . . 0.0 110.95 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 6' ' ' THR . 9.6 t -79.96 -47.61 14.71 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.499 -0.751 . . . . 0.0 111.923 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' B' ' 10' ' ' THR . 2.8 pp -68.56 -27.76 66.36 Favored 'General case' 0 C--O 1.201 -1.447 0 C-N-CA 117.962 -1.495 . . . . 0.0 108.445 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' B' ' 8' ' ' MET . 5.6 mm -70.46 -39.68 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.645 -0.659 . . . . 0.0 110.28 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 12.9 m120 -67.5 -39.98 85.19 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.969 0.89 . . . . 0.0 109.705 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -28.47 21.4 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -33.55 74.32 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -89.62 -10.2 46.86 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.51 59.81 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.137 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.418 ' NE2' ' HZ2' ' B' ' 31' ' ' LYS . 54.7 t-80 -101.07 -38.63 8.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.553 -0.717 . . . . 0.0 111.272 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.3 t -60.01 -36.03 76.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.006 -1.059 . . . . 0.0 110.389 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.71 6.72 77.31 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.4 -25.31 29.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.505 -0.997 . . . . 0.0 109.64 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.75 -7.0 34.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.292 -0.88 . . . . 0.0 110.452 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.01 -25.47 26.76 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.3 61.59 2.79 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.01 -15.11 57.89 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -83.22 -14.74 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.875 -1.14 . . . . 0.0 109.123 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.76 153.55 33.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.48 165.77 19.91 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.5 m -133.23 163.56 29.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.844 -1.16 . . . . 0.0 110.019 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.428 -0.795 . . . . 0.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.418 ' HZ2' ' NE2' ' B' ' 18' ' ' HIS . 13.0 tmtt? -78.23 -32.37 49.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.707 -1.246 . . . . 0.0 110.467 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.22 -47.1 87.63 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.356 -0.84 . . . . 0.0 110.151 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.59 -31.77 70.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 0.0 110.396 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -65.23 -32.35 73.98 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.016 -1.053 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.429 ' O ' ' CG2' ' B' ' 39' ' ' THR . 11.9 t70 -68.59 -38.71 80.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.345 -0.847 . . . . 0.0 110.317 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.59 -40.0 80.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 111.22 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -74.05 -43.67 56.97 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 111.507 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.19 -21.91 63.93 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.345 -0.847 . . . . 0.0 109.374 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.91 -52.32 8.02 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.537 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.49 -27.32 7.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.087 -1.008 . . . . 0.0 113.154 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.7 24.04 13.45 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 120.822 -1.173 . . . . 0.0 111.019 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.604 ' HG ' ' N ' ' B' ' 43' ' ' SER . 55.8 p -60.05 -38.07 81.69 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.045 -1.035 . . . . 0.0 110.154 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.604 ' N ' ' HG ' ' B' ' 42' ' ' SER . 48.3 t -68.45 -41.69 79.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.148 -0.97 . . . . 0.0 111.23 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -79.98 -69.99 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 110.442 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.2 mp -81.56 93.6 6.73 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 31.8 p-10 -58.02 92.73 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 109.594 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.4 p -106.59 -18.07 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.467 -0.771 . . . . 0.0 109.862 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.21 -57.86 2.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.905 -1.122 . . . . 0.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.422 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.95 -49.27 78.34 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.043 -177.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.0 m-20 -95.38 78.05 3.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.351 -1.468 . . . . 0.0 109.779 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.77 17.35 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -74.87 -21.54 59.18 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -67.4 -35.4 79.23 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.2 -28.57 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.469 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.57 -39.91 92.18 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.573 1.178 . . . . 0.0 108.161 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.14 -39.96 75.09 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.519 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -39.98 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.914 -0.491 . . . . 0.0 110.454 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.0 ppp? -82.96 -25.73 32.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.548 -1.345 . . . . 0.0 110.408 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.93 -40.62 89.52 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -35.76 75.72 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 2.3 mp -80.46 -70.1 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.715 0.769 . . . . 0.0 110.207 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' B' ' 65' ' ' GLY . 92.4 m-20 -68.74 44.46 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.751 -0.593 . . . . 0.0 110.342 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' B' ' 61' ' ' LEU . 58.4 mm-40 -57.62 -18.23 18.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.97 -3.57 48.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.16 32.77 85.01 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.9 p-10 -90.15 -0.43 57.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.082 -1.246 . . . . 0.0 110.469 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.44 4.3 0.35 Allowed Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.3 mt-10 -128.41 139.52 52.32 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.94 147.31 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.634 0.731 . . . . 0.0 110.169 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 84.5 m-20 -81.81 8.19 10.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.73 . . . . 0.0 111.386 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' B' ' 70' ' ' ASP . 18.0 t80 82.16 -60.49 0.18 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.787 -0.571 . . . . 0.0 111.207 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.01 -37.06 78.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 110.115 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.912 -1.117 . . . . 0.0 108.562 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -68.99 -40.1 78.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.561 -0.712 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -60.05 -40.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.097 -1.627 . . . . 0.0 110.136 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.99 -39.92 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.007 -1.058 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.9 -56.81 17.1 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.404 -0.81 . . . . 0.0 112.619 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 7.4 m -79.98 -20.38 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 111.057 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 -46.63 72.1 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.816 -1.177 . . . . 0.0 109.31 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.017 . . . . 0.0 110.961 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.02 -49.98 75.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.017 -1.052 . . . . 0.0 110.799 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -61.59 -39.97 93.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.329 -0.857 . . . . 0.0 110.805 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -42.89 91.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 O-C-N 121.379 -0.826 . . . . 0.0 109.567 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.21 85.06 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -59.94 -39.94 87.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.598 -0.689 . . . . 0.0 110.304 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.87 -38.77 79.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.845 -1.159 . . . . 0.0 108.476 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.0 -20.73 55.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.11 -42.16 94.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.0 110.19 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -81.26 -14.81 57.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.139 -0.975 . . . . 0.0 109.728 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.45 -21.77 60.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.397 -0.815 . . . . 0.0 110.695 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -59.92 -37.4 79.36 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.495 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.8 t-20 -59.96 -39.97 87.41 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.293 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.918 0 N-CA-C 119.37 2.508 . . . . 0.0 119.37 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -99.06 22.15 10.73 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -1.071 . . . . 0.0 109.34 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.783 . . . . 0.0 109.542 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -71.09 -39.47 72.11 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.73 -40.06 96.02 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.604 0.716 . . . . 0.0 109.077 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.4 m -64.53 -21.94 66.83 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.07 75.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.49 -0.756 . . . . 0.0 110.257 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 mtm -79.72 -34.81 39.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.338 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.74 -37.91 76.65 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.524 -0.735 . . . . 0.0 110.547 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 5.5 t -73.05 -53.15 11.83 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.576 -0.703 . . . . 0.0 111.871 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.3 -31.08 72.14 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 120.521 -1.362 . . . . 0.0 109.46 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.92 -31.97 49.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 120.526 -1.359 . . . . 0.0 109.519 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -70.98 -44.66 65.5 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.531 -0.731 . . . . 0.0 110.691 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 m -70.96 -28.61 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.43 -41.43 96.58 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.734 0.778 . . . . 0.0 109.095 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -89.54 -9.17 50.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.43 -40.01 64.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.213 -0.929 . . . . 0.0 108.729 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.666 ' ND1' ' H ' ' A' ' 19' ' ' SER . 5.9 p-80 -98.2 -43.12 7.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.666 ' H ' ' ND1' ' A' ' 18' ' ' HIS . 72.6 m -55.34 -27.88 50.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 108.967 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.38 85.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -68.53 -40.09 80.88 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -109.95 93.25 4.4 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.04 -12.68 67.74 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -60.13 -48.92 79.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.964 -1.315 . . . . 0.0 108.041 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 127.84 33.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 61.8 t80 -94.37 48.58 1.24 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.97 165.94 26.76 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 29' ' ' SER . 42.3 tp -80.87 167.12 20.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.753 -1.217 . . . . 0.0 107.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.2 t -136.95 165.33 26.24 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.971 -1.081 . . . . 0.0 110.329 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -59.28 -39.98 84.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.711 . . . . 0.0 111.183 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -74.5 -32.78 62.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.757 -1.214 . . . . 0.0 110.493 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 41.2 mt-10 -60.84 -53.8 52.88 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.821 0.819 . . . . 0.0 110.558 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.93 -33.12 74.67 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.143 -0.973 . . . . 0.0 110.807 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.6 -39.9 95.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.921 -1.112 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' O ' ' CG2' ' A' ' 39' ' ' THR . 26.8 t0 -61.7 -41.15 97.2 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 110.399 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 18' ' ' HIS . 78.4 mt -63.03 -40.0 96.41 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 112.079 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.4 -40.89 42.06 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.813 -1.179 . . . . 0.0 111.229 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.74 -19.99 61.28 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 109.29 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.45 ' HG1' ' H ' ' A' ' 40' ' ' GLU . 3.2 p -77.56 -58.47 3.25 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.289 -0.882 . . . . 0.0 111.136 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 12.3 mt-10 -110.67 -28.9 8.24 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.04 -1.037 . . . . 0.0 112.342 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.28 29.42 7.69 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 120.802 -1.186 . . . . 0.0 110.801 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.453 ' OG ' ' NE2' ' A' ' 48' ' ' GLN . 8.5 t -59.94 -46.96 87.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.931 -1.105 . . . . 0.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.0 t -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 111.47 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.724 -1.235 . . . . 0.0 110.309 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.34 95.39 7.6 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.03 140.07 57.04 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.469 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.405 ' CG1' ' H ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -162.37 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.0 -1.063 . . . . 0.0 109.991 -178.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 5.7 pt20 -43.53 -40.46 3.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.666 -0.646 . . . . 0.0 110.557 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.14 -42.67 65.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.88 -1.137 . . . . 0.0 109.348 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -103.52 87.13 2.77 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.072 -1.017 . . . . 0.0 108.855 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.263 -0.898 . . . . 0.0 108.973 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.6 -23.04 61.65 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.428 -1.42 . . . . 0.0 107.79 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.17 85.2 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.09 -29.53 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.359 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -66.28 -38.59 88.16 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 122.426 1.108 . . . . 0.0 108.545 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -39.01 83.48 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.769 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 pt -80.06 -29.06 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.079 -1.013 . . . . 0.0 111.444 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.494 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -80.5 -27.07 37.83 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.474 -1.391 . . . . 0.0 108.462 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' SD ' ' A' ' 58' ' ' MET . 29.3 ttmt -65.72 -46.76 77.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.56 -0.713 . . . . 0.0 109.709 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -60.06 -40.04 88.11 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -74.15 -58.51 3.25 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.651 0.739 . . . . 0.0 109.315 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 94.7 m-20 -82.46 25.4 0.63 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.0 pt-20 -50.64 -19.02 0.8 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.225 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -74.49 4.8 5.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 110.776 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.63 43.09 19.89 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 68' ' ' GLU . 18.7 p-10 -141.68 95.97 2.9 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.82 26.34 0.01 OUTLIER Glycine 0 N--CA 1.507 3.385 0 O-C-N 121.879 -0.513 . . . . 0.0 111.998 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 66' ' ' ASP . 95.9 mt-10 -128.81 128.31 43.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -95.8 154.21 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.19 -0.944 . . . . 0.0 110.939 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 39.5 t0 -95.77 16.26 17.97 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.356 -0.84 . . . . 0.0 112.316 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 2.4 m-85 81.8 -63.94 0.15 Allowed 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.229 -0.92 . . . . 0.0 112.112 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.07 -39.42 85.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.943 -1.098 . . . . 0.0 110.334 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.08 -40.06 88.24 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.678 -1.264 . . . . 0.0 109.523 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -68.44 -50.84 49.68 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.0 -38.58 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 O-C-N 120.817 -1.177 . . . . 0.0 111.254 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.33 -40.01 87.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.56 -1.337 . . . . 0.0 111.196 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.24 -58.48 4.35 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.002 -1.061 . . . . 0.0 112.574 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -23.81 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.379 -0.826 . . . . 0.0 111.019 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.46 72.58 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.003 -1.06 . . . . 0.0 110.377 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.3 81.82 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.213 -0.93 . . . . 0.0 111.168 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.45 -39.84 85.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.666 -1.271 . . . . 0.0 110.473 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.512 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 66.9 p -69.83 -46.59 65.29 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.917 -1.114 . . . . 0.0 111.966 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.6 p -62.77 -40.0 86.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 120.521 -1.362 . . . . 0.0 109.098 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.95 92.75 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.684 -0.635 . . . . 0.0 110.914 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 82' ' ' THR . 14.9 p -66.04 -40.09 90.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.913 -1.117 . . . . 0.0 110.346 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.9 t-20 -59.96 -40.11 87.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.875 -1.141 . . . . 0.0 109.472 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.74 -27.27 63.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.375 -0.828 . . . . 0.0 109.397 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.98 -44.26 94.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.393 -0.817 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -76.72 -23.28 53.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.211 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -71.02 -16.69 62.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.431 -0.793 . . . . 0.0 109.143 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.95 -39.45 85.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 93' ' ' SER . 97.4 m-20 -59.92 -40.01 87.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.123 -0.986 . . . . 0.0 109.444 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 92' ' ' ASN . 6.1 t . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.554 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.866 0 N-CA-C 119.405 2.522 . . . . 0.0 119.405 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.443 ' O ' ' N ' ' B' ' 6' ' ' THR . 23.7 m -99.08 22.07 10.87 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.408 -1.054 . . . . 0.0 109.239 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 10' ' ' THR . 70.5 mt-10 -59.98 -50.05 75.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.401 -0.812 . . . . 0.0 109.509 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.474 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -71.0 -39.5 72.38 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.76 -40.05 96.07 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.443 ' N ' ' O ' ' B' ' 2' ' ' SER . 16.4 m -64.54 -21.89 66.81 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.99 76.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.545 -0.722 . . . . 0.0 110.414 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -80.41 -34.64 36.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.028 -1.045 . . . . 0.0 110.367 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.55 -38.2 77.35 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.606 0.717 . . . . 0.0 110.432 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.4 t -73.07 -53.39 11.22 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.572 -0.705 . . . . 0.0 111.81 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -62.98 -31.08 72.13 Favored 'General case' 0 C--O 1.198 -1.609 0 O-C-N 120.428 -1.42 . . . . 0.0 109.436 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.0 -31.7 48.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 120.452 -1.405 . . . . 0.0 109.663 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -71.58 -44.25 64.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.0 110.807 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -70.61 -29.09 36.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.731 0.777 . . . . 0.0 109.138 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.74 -8.59 51.91 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.97 63.74 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.3 -0.875 . . . . 0.0 108.742 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.662 ' ND1' ' H ' ' B' ' 19' ' ' SER . 5.9 p-80 -98.31 -43.05 7.1 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.212 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.662 ' H ' ' ND1' ' B' ' 18' ' ' HIS . 73.8 m -55.38 -27.85 50.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.366 -0.834 . . . . 0.0 109.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.34 85.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -68.65 -40.01 80.44 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -109.94 93.34 4.45 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.98 -12.87 67.54 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.01 -49.11 78.96 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.943 -1.328 . . . . 0.0 108.113 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 127.57 33.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.121 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 62.8 t80 -94.0 47.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.87 165.28 27.93 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' B' ' 29' ' ' SER . 42.6 tp -80.26 167.01 20.82 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.724 -1.235 . . . . 0.0 108.016 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 19.3 t -136.22 166.42 23.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.298 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.0 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.784 -0.573 . . . . 0.0 111.334 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -74.61 -32.95 62.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.909 -1.119 . . . . 0.0 110.565 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 29' ' ' SER . 41.6 mt-10 -60.69 -54.0 50.65 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.815 0.817 . . . . 0.0 110.524 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -33.66 75.43 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 110.856 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.11 -40.04 94.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.801 -1.187 . . . . 0.0 110.44 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.432 ' O ' ' CG2' ' B' ' 39' ' ' THR . 26.4 t0 -61.97 -40.02 94.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.641 0.734 . . . . 0.0 110.669 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' B' ' 18' ' ' HIS . 76.5 mt -64.04 -40.03 95.4 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.994 -177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.32 -41.01 42.22 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.832 -1.168 . . . . 0.0 111.252 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.51 -20.01 61.43 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.312 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 3.1 p -77.47 -58.75 3.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.264 -0.898 . . . . 0.0 111.123 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.6 mt-10 -110.56 -28.86 8.3 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.953 -1.092 . . . . 0.0 112.291 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -110.1 29.32 7.76 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.921 -1.112 . . . . 0.0 110.859 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.572 ' HG ' ' NE2' ' B' ' 48' ' ' GLN . 8.6 t -59.99 -46.85 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.897 -1.127 . . . . 0.0 110.578 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.1 t -64.71 -40.01 94.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.247 -0.908 . . . . 0.0 111.479 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.858 -1.151 . . . . 0.0 110.326 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.4 mt -82.38 95.34 7.61 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.0 140.0 57.06 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.473 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -162.35 -68.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.018 . . . . 0.0 110.074 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.572 ' NE2' ' HG ' ' B' ' 42' ' ' SER . 5.0 pt20 -43.95 -40.48 4.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.548 -0.72 . . . . 0.0 110.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -71.95 -42.21 66.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.857 -1.152 . . . . 0.0 109.407 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -103.77 86.68 2.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.191 -0.943 . . . . 0.0 108.947 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.2 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.961 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -71.41 -23.48 61.88 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.462 -1.399 . . . . 0.0 107.813 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.44 -29.42 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.351 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -66.53 -38.35 86.98 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 122.52 1.152 . . . . 0.0 108.447 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -40.0 84.62 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.656 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pt -79.82 -28.39 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.883 -1.136 . . . . 0.0 111.538 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -80.59 -26.99 37.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.405 -1.435 . . . . 0.0 108.43 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.446 ' N ' ' SD ' ' B' ' 58' ' ' MET . 28.6 ttmt -66.07 -46.36 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.701 . . . . 0.0 109.608 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.2 -40.01 88.55 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -74.25 -58.4 3.32 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.636 0.731 . . . . 0.0 109.277 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 94.7 m-20 -82.59 25.48 0.64 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.554 -0.717 . . . . 0.0 109.118 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' B' ' 61' ' ' LEU . 17.7 pt-20 -50.88 -18.36 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.278 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' B' ' 62' ' ' ASP . 23.4 t-20 -74.91 4.66 6.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.425 -0.797 . . . . 0.0 110.668 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.97 19.61 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.6 p-10 -141.71 96.06 2.91 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.91 26.45 0.01 OUTLIER Glycine 0 N--CA 1.507 3.392 0 O-C-N 121.894 -0.504 . . . . 0.0 112.003 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.659 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.9 mt-10 -128.92 128.01 42.92 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.58 154.4 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.247 -0.908 . . . . 0.0 110.977 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 38.7 t0 -95.81 16.11 18.45 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.299 -0.876 . . . . 0.0 112.258 -177.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 2.4 m-85 81.99 -64.05 0.14 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.118 -0.989 . . . . 0.0 112.016 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.95 -39.7 86.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.897 -1.127 . . . . 0.0 110.264 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -59.96 -40.06 87.73 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.707 -1.245 . . . . 0.0 109.534 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -68.49 -50.87 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.95 -39.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 120.795 -1.191 . . . . 0.0 111.073 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.3 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 120.796 -1.19 . . . . 0.0 111.108 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.77 -58.49 4.13 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.891 -1.131 . . . . 0.0 112.588 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -23.61 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.442 -0.786 . . . . 0.0 111.041 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.1 -43.2 71.55 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.116 -0.99 . . . . 0.0 110.276 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.127 -0.983 . . . . 0.0 111.056 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.842 -1.161 . . . . 0.0 110.657 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.517 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 78.6 p -69.64 -47.17 64.32 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.887 -1.133 . . . . 0.0 111.831 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.444 ' H ' ' HG1' ' B' ' 82' ' ' THR . 9.4 p -62.12 -39.98 85.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.413 -1.43 . . . . 0.0 109.232 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.1 93.42 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.541 -0.724 . . . . 0.0 110.847 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' B' ' 82' ' ' THR . 14.7 p -65.81 -40.08 91.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.86 -1.15 . . . . 0.0 110.336 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.505 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 28.9 t-20 -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.069 -1.019 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.72 -27.39 63.94 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.348 -0.845 . . . . 0.0 109.416 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.91 -44.34 94.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.387 -0.821 . . . . 0.0 109.817 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -76.69 -23.27 53.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 109.21 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -71.05 -16.58 62.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.31 -0.869 . . . . 0.0 109.074 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.86 -39.61 85.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.81 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 93' ' ' SER . 97.4 m-20 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 0.0 109.387 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 92' ' ' ASN . 5.8 t . . . . . 0 C--N 1.301 -1.533 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.535 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.927 0 N-CA-C 119.816 2.687 . . . . 0.0 119.816 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -106.34 21.05 18.03 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.307 -1.113 . . . . 0.0 108.969 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.497 ' O ' ' OG1' ' B' ' 10' ' ' THR . 34.2 tt0 -59.65 -50.15 74.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -72.32 -39.73 67.99 Favored 'General case' 0 C--N 1.285 -2.22 0 O-C-N 120.654 -1.278 . . . . 0.0 108.508 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.17 -40.19 89.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 m -60.75 -22.95 64.58 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.12 76.42 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.8 mtp -74.57 -37.59 62.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.78 -1.2 . . . . 0.0 109.573 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 94.7 mt-10 -68.17 -38.99 82.68 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.71 0.767 . . . . 0.0 111.374 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 6.8 t -73.71 -51.76 15.5 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.3 -25.75 64.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.135 -1.603 . . . . 0.0 108.833 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.63 -28.78 22.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.045 -1.035 . . . . 0.0 108.999 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 96.2 m-20 -73.05 -40.42 65.12 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.735 0.779 . . . . 0.0 109.402 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -70.42 -34.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.613 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 37.6 t80 -60.33 -42.13 94.99 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -85.58 -9.26 57.59 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.71 -38.08 48.1 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.939 -1.101 . . . . 0.0 109.917 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -103.53 -37.7 7.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.279 -0.888 . . . . 0.0 110.858 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -56.45 -28.45 59.61 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.175 -0.953 . . . . 0.0 110.406 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.43 0.06 61.4 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.55 -31.35 63.59 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.534 -0.98 . . . . 0.0 109.543 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -95.03 -5.91 43.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.0 111.632 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.89 -11.38 70.73 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' TYR . 99.6 m-20 -84.43 25.12 0.91 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 23' ' ' GLY . 25.3 ttmt -42.88 -13.21 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.206 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' N ' ' O ' ' A' ' 24' ' ' ASP . 94.4 m-85 -90.1 -15.55 31.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.607 -1.308 . . . . 0.0 109.416 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HZ3' ' C ' ' A' ' 69' ' ' VAL . 40.0 tttm -148.68 150.2 32.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.017 -1.052 . . . . 0.0 109.943 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.4 165.68 19.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.08 -1.013 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.464 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 9.9 p -136.49 164.5 28.03 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.732 -1.23 . . . . 0.0 110.504 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.96 -39.95 87.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.512 -0.742 . . . . 0.0 111.325 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 10.5 tmtt? -77.0 -32.13 56.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.647 -1.283 . . . . 0.0 110.421 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' H ' ' HG ' ' A' ' 29' ' ' SER . 90.1 mt-10 -61.73 -49.99 74.21 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.768 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.66 -33.81 71.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 111.451 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 50.0 tttm -60.37 -37.35 80.47 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 120.805 -1.185 . . . . 0.0 109.078 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.513 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 70.1 m-20 -66.41 -39.82 89.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 110.116 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.2 mt -61.45 -40.18 93.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.102 -0.999 . . . . 0.0 110.571 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 42' ' ' SER . 21.6 mt -73.51 -40.1 64.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.969 -1.082 . . . . 0.0 110.13 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 28.0 mt-30 -69.92 -22.3 63.21 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.561 0.696 . . . . 0.0 109.697 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.6 p -90.45 -53.16 4.56 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 112.788 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.1 mt-10 -109.96 -32.39 7.05 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.73 -1.231 . . . . 0.0 112.709 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -111.5 26.51 10.58 Favored 'General case' 0 N--CA 1.516 2.825 0 O-C-N 120.898 -1.126 . . . . 0.0 109.808 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' LEU . 55.1 p -60.39 -40.08 89.64 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.167 -0.958 . . . . 0.0 111.102 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.22 -40.56 86.43 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.913 -1.117 . . . . 0.0 111.782 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -76.45 -68.62 0.57 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.681 -1.262 . . . . 0.0 109.842 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.9 mp -81.02 98.52 8.0 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.544 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 82.4 m-20 -62.95 80.9 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.999 -0.68 . . . . 0.0 110.083 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -94.04 -15.01 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.62 -0.675 . . . . 0.0 109.591 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -69.42 0.59 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 112.248 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HZ2' ' CG ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -56.18 -50.24 71.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 110.474 -176.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.7 m-20 -93.45 77.17 4.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.258 -1.526 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -21.3 21.29 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 63.4 t0 -70.15 -26.88 64.13 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.38 -32.54 73.36 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -30.43 22.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.634 -0.666 . . . . 0.0 110.022 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -70.25 -39.5 74.98 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 109.012 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HZ3' ' HA ' ' A' ' 53' ' ' ALA . 10.1 mtmp? -69.69 -39.89 76.67 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.175 0.988 . . . . 0.0 109.902 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -38.95 84.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ASP . 91.0 mmm -71.51 -30.41 65.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.153 -0.967 . . . . 0.0 109.689 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -55.32 -40.64 71.38 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.63 -34.53 78.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.8 mp -81.71 -70.04 0.57 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.508 0.67 . . . . 0.0 110.564 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' MET . 91.0 m-20 -74.49 34.87 0.1 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.528 -0.732 . . . . 0.0 109.624 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' LEU . 89.4 tt0 -54.41 -21.31 9.36 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.09 -3.36 58.77 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.476 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.37 32.9 64.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.8 p-10 -91.97 -3.24 56.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.097 -1.237 . . . . 0.0 110.199 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.09 8.63 0.26 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -135.48 157.54 46.63 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.23 -1.159 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' C ' ' HZ3' ' A' ' 27' ' ' LYS . 3.5 t -126.13 157.24 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 121.87 0.843 . . . . 0.0 111.636 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.48 20.28 5.46 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 23.5 t80 62.31 -40.94 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 122.134 -0.354 . . . . 0.0 111.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.04 -29.91 67.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.462 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 33.8 mt-10 -68.54 -40.67 80.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.764 -1.21 . . . . 0.0 108.966 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.22 -43.6 81.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.839 -0.538 . . . . 0.0 112.233 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.92 -39.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.553 -1.342 . . . . 0.0 110.11 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.8 -39.99 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.734 -1.229 . . . . 0.0 110.787 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.68 -57.46 10.94 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.086 -1.009 . . . . 0.0 112.256 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -74.31 -21.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.662 -0.649 . . . . 0.0 110.513 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.15 -53.08 22.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.826 -1.171 . . . . 0.0 109.888 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.81 -40.47 75.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.946 -1.096 . . . . 0.0 111.214 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.64 -46.95 87.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.842 -1.161 . . . . 0.0 109.986 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.3 m -62.11 -40.04 94.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.412 -0.805 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.19 -40.29 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.453 -0.78 . . . . 0.0 109.453 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.82 87.1 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.617 -0.677 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.13 -42.09 94.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.247 -0.908 . . . . 0.0 110.9 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -61.56 -40.2 93.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 110.107 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.259 -0.901 . . . . 0.0 108.79 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.5 -40.23 90.63 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -95.5 7.56 45.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.938 -1.101 . . . . 0.0 110.579 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -65.82 -34.57 78.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.052 -1.03 . . . . 0.0 109.958 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.78 -40.85 89.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.122 . . . . 0.0 110.185 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.54 -39.75 89.02 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.185 -0.947 . . . . 0.0 109.474 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.658 -179.53 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.009 0 N-CA-C 119.634 2.614 . . . . 0.0 119.634 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -106.23 21.01 18.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.284 -1.127 . . . . 0.0 109.017 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . 33.7 tt0 -59.9 -49.89 75.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 110.197 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.22 -40.04 68.08 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.641 -1.287 . . . . 0.0 108.441 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.13 -40.03 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.1 m -60.79 -23.07 64.74 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.07 -35.23 76.29 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.742 -0.598 . . . . 0.0 110.916 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -73.48 -39.33 64.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.676 -1.265 . . . . 0.0 109.486 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 92.1 mt-10 -66.56 -39.57 88.57 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.626 0.727 . . . . 0.0 111.754 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.497 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 6.9 t -73.61 -51.02 18.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -175.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.09 -25.55 63.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.179 -1.576 . . . . 0.0 108.699 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.84 -28.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.062 -1.024 . . . . 0.0 108.961 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.3 m-20 -73.39 -39.89 64.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.845 . . . . 0.0 109.586 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -70.6 -34.16 56.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.617 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.8 t80 -59.99 -42.29 93.89 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -85.65 -8.91 57.95 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.19 47.65 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.953 -1.092 . . . . 0.0 109.762 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -103.42 -37.96 7.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.299 -0.875 . . . . 0.0 110.85 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -56.33 -28.57 59.38 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.189 -0.944 . . . . 0.0 110.43 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 0.38 61.17 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -73.59 -31.13 63.41 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.547 -0.972 . . . . 0.0 109.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -95.27 -5.83 42.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 111.626 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 89.91 -11.83 69.36 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' B' ' 26' ' ' TYR . 98.5 m-20 -84.41 25.72 0.85 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' B' ' 23' ' ' GLY . 25.8 ttmt -43.1 -13.5 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.116 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.545 ' N ' ' O ' ' B' ' 24' ' ' ASP . 94.2 m-85 -89.87 -15.61 31.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.594 -1.316 . . . . 0.0 109.352 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.53 ' HZ3' ' C ' ' B' ' 69' ' ' VAL . 39.8 tttm -148.7 150.08 32.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.997 -1.064 . . . . 0.0 109.942 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.67 165.71 18.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.117 -0.989 . . . . 0.0 108.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.473 ' HG ' ' H ' ' B' ' 32' ' ' GLU . 12.1 p -136.18 165.14 26.43 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.715 -1.241 . . . . 0.0 110.616 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -60.06 -40.13 88.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.459 -0.776 . . . . 0.0 111.38 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.482 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 11.1 tmtt? -77.45 -31.49 53.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.58 -1.325 . . . . 0.0 110.441 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.473 ' H ' ' HG ' ' B' ' 29' ' ' SER . 89.5 mt-10 -62.19 -50.0 73.56 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.616 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.28 -33.98 72.22 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.639 -0.663 . . . . 0.0 111.451 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.501 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.6 tttm -60.28 -37.23 79.82 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.824 -1.172 . . . . 0.0 109.202 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.482 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 70.1 m-20 -66.55 -40.07 88.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.133 -0.979 . . . . 0.0 110.13 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.39 -40.22 93.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.193 -0.942 . . . . 0.0 110.573 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.7 mt -73.16 -40.31 64.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.911 -1.118 . . . . 0.0 110.331 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.501 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 28.1 mt-30 -70.29 -21.43 62.95 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.377 0.608 . . . . 0.0 109.621 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.1 p -90.99 -52.84 4.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.284 -0.885 . . . . 0.0 112.7 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.7 mt-10 -109.98 -32.7 6.94 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.897 -1.127 . . . . 0.0 112.723 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.35 26.48 10.63 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.982 -1.074 . . . . 0.0 109.907 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 37' ' ' LEU . 59.7 p -60.97 -39.92 91.39 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.131 -0.981 . . . . 0.0 111.22 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 95.2 p -67.16 -40.04 86.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.968 -1.082 . . . . 0.0 111.716 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.84 -69.02 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.625 -1.297 . . . . 0.0 109.907 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 47' ' ' VAL . 11.1 mp -80.7 98.59 7.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.403 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 82.1 m-20 -62.65 80.44 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.608 0.718 . . . . 0.0 110.144 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -93.39 -15.1 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.496 -0.753 . . . . 0.0 109.71 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -69.15 0.61 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.715 -1.241 . . . . 0.0 112.369 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.429 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.23 -50.7 70.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.109 -0.994 . . . . 0.0 110.468 -176.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' B' ' 53' ' ' ALA . 84.3 m-20 -93.15 77.77 4.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.225 -1.547 . . . . 0.0 109.289 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.98 -20.84 26.07 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 64.4 t0 -70.07 -26.13 63.86 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.76 -33.16 74.58 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -30.42 23.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.885 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -70.7 -38.98 73.73 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.942 -1.099 . . . . 0.0 109.156 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.068 0.937 . . . . 0.0 110.068 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.88 -38.93 84.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.488 ' O ' ' N ' ' B' ' 62' ' ' ASP . 89.7 mmm -71.84 -30.02 65.02 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 109.726 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -55.77 -40.36 72.52 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.22 -34.7 78.69 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -81.65 -70.12 0.56 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.543 0.687 . . . . 0.0 110.705 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 58' ' ' MET . 91.7 m-20 -74.62 35.96 0.1 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.483 -0.76 . . . . 0.0 109.501 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' B' ' 61' ' ' LEU . 89.2 tt0 -55.09 -21.78 13.95 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.76 -4.46 59.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.414 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.51 63.04 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.8 p-10 -92.02 -3.58 55.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.172 -1.193 . . . . 0.0 109.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.65 9.57 0.29 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.7 mt-10 -135.44 157.12 47.68 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 121.317 -1.108 . . . . 0.0 108.181 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.53 ' C ' ' HZ3' ' B' ' 27' ' ' LYS . 3.3 t -125.92 157.46 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-O 121.936 0.874 . . . . 0.0 111.657 -177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.2 m-20 -91.71 20.0 5.93 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 22.8 t80 62.3 -40.88 0.16 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 122.233 -0.292 . . . . 0.0 111.255 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 0.0 OUTLIER -70.13 -29.96 67.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.376 -1.453 . . . . 0.0 109.299 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 32.5 mt-10 -68.32 -40.66 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.689 -1.257 . . . . 0.0 108.948 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.43 -43.25 81.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.779 -0.576 . . . . 0.0 112.542 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -60.07 -39.93 81.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 120.515 -1.366 . . . . 0.0 109.845 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t -69.67 -40.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.864 -1.147 . . . . 0.0 110.765 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.46 -57.63 10.55 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.108 -0.995 . . . . 0.0 112.243 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -74.78 -20.58 16.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.617 -0.677 . . . . 0.0 110.527 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -53.04 22.51 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.07 76.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.053 -1.029 . . . . 0.0 111.218 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.65 -47.54 85.79 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.935 -1.103 . . . . 0.0 110.176 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.1 m -61.9 -40.1 94.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.399 -0.813 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.17 -40.09 82.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.871 0.843 . . . . 0.0 109.622 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.67 87.06 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.411 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.36 -41.06 92.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.364 -0.835 . . . . 0.0 110.703 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.931 -1.106 . . . . 0.0 110.069 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.75 -40.07 91.1 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.58 -40.3 91.21 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -95.48 7.61 45.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.017 -1.052 . . . . 0.0 110.653 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -65.7 -34.48 78.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.934 -1.104 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.14 -40.8 91.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.987 -1.071 . . . . 0.0 110.093 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.42 -39.88 89.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.374 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.596 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.876 2.71 . . . . 0.0 119.876 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 6' ' ' THR . 58.1 m -105.48 19.82 19.93 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.201 -1.176 . . . . 0.0 108.924 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 53.4 mt-10 -60.01 -49.93 75.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 109.396 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.0 tt -71.94 -39.96 69.07 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.77 -39.96 95.8 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.1 m -62.54 -22.48 66.36 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.23 -37.19 80.56 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -80.97 -33.9 33.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.01 -1.056 . . . . 0.0 110.346 -179.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -71.13 -30.27 66.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 110.146 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -80.09 -51.69 8.71 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.12 -0.987 . . . . 0.0 111.499 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.82 -28.49 70.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.358 -1.464 . . . . 0.0 109.174 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.49 -34.43 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.543 -1.348 . . . . 0.0 110.206 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -70.45 -44.91 66.85 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.271 -0.893 . . . . 0.0 110.852 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -69.41 -32.86 54.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 64.4 t80 -62.04 -39.87 93.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.757 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -88.91 -10.09 49.13 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.0 55.39 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -102.63 -27.89 12.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.513 -0.742 . . . . 0.0 111.246 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 58.8 m -60.82 -40.07 91.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.966 -1.084 . . . . 0.0 111.459 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.52 6.29 70.92 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.62 -29.79 63.78 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.224 -1.162 . . . . 0.0 108.461 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -92.79 -2.08 56.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.651 -0.656 . . . . 0.0 110.759 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.49 -7.55 78.59 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.02 38.28 0.95 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.397 -1.06 . . . . 0.0 108.533 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.62 -16.92 18.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.602 -0.686 . . . . 0.0 110.677 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -66.99 -19.48 65.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.618 -1.301 . . . . 0.0 109.206 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -163.19 169.82 18.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.218 -0.926 . . . . 0.0 109.733 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -78.87 161.41 26.76 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 m -132.38 163.25 29.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.91 -1.119 . . . . 0.0 109.922 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 3.7 tmtt? -59.53 -40.5 87.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.543 -0.723 . . . . 0.0 110.789 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.65 -31.42 61.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.951 -1.093 . . . . 0.0 110.168 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.79 -44.95 79.94 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.492 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.97 -30.02 67.28 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.025 -1.047 . . . . 0.0 109.627 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 48.3 tptt -59.79 -40.13 87.24 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.638 -0.664 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' CG2' ' A' ' 39' ' ' THR . 94.2 m-20 -68.91 -40.05 79.32 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.733 -0.605 . . . . 0.0 111.669 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.8 -40.51 83.87 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.222 -0.924 . . . . 0.0 111.869 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.93 -43.29 55.02 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.604 -1.31 . . . . 0.0 110.746 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.437 HE21 ' C ' ' A' ' 34' ' ' LYS . 16.6 pt20 -68.95 -25.17 64.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.359 -0.838 . . . . 0.0 109.57 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 2.9 p -73.02 -55.92 5.84 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 121.021 -1.049 . . . . 0.0 111.348 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.3 mt-10 -113.55 -24.62 9.15 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.991 -1.068 . . . . 0.0 113.259 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -110.88 21.62 16.27 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.688 -1.258 . . . . 0.0 111.329 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' A' ' 43' ' ' SER . 7.6 p -59.25 -49.37 78.1 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.713 -1.242 . . . . 0.0 110.761 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.528 ' H ' ' HG ' ' A' ' 42' ' ' SER . 68.5 m -61.79 -40.23 94.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.147 -0.971 . . . . 0.0 111.661 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -79.86 -69.97 0.55 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.682 -1.261 . . . . 0.0 109.998 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -81.54 96.58 7.49 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.11 138.81 54.02 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 118.561 -1.256 . . . . 0.0 107.628 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 1.5 p -161.7 -52.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.026 -1.046 . . . . 0.0 110.441 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.04 -42.95 95.53 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.663 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -72.98 -39.44 66.11 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.899 -1.125 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -101.46 79.29 1.95 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.133 -0.979 . . . . 0.0 109.483 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.2 38.25 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 108.467 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 18.5 p-10 -72.8 -25.68 61.24 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.51 78.6 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.901 -0.499 . . . . 0.0 109.749 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.72 -30.06 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.558 -1.257 . . . . 0.0 109.266 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -65.35 -40.15 93.27 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 109.176 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -70.08 -40.06 75.23 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.221 1.01 . . . . 0.0 110.64 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.93 84.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.636 -178.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.3 ptm -81.79 -26.98 33.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.16 -0.962 . . . . 0.0 110.442 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.17 -42.29 85.71 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.045 -1.034 . . . . 0.0 109.484 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.16 -39.93 91.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.561 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.3 mp -83.62 -69.63 0.62 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.428 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.3 m-20 -67.68 39.29 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.199 -0.938 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' A' ' 61' ' ' LEU . 17.6 pt-20 -58.14 -8.58 1.12 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 62' ' ' ASP . 23.9 m120 -86.75 -3.08 59.01 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.26 0.552 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.39 28.63 73.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 68' ' ' GLU . 50.2 p-10 -88.8 -2.61 58.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.993 . . . . 0.0 109.791 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.43 6.3 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.2 mt-10 -131.98 125.75 32.31 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.184 -1.186 . . . . 0.0 108.766 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.94 142.93 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.855 . . . . 0.0 109.138 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 65.5 t0 -62.13 -48.22 81.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.789 -1.194 . . . . 0.0 110.879 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER 146.06 -60.81 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.27 -35.09 74.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -42.52 95.8 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 109.1 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -66.76 -49.47 65.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.38 -0.825 . . . . 0.0 113.118 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.22 -39.82 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.027 -1.045 . . . . 0.0 112.039 -176.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.65 -40.71 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.485 -1.384 . . . . 0.0 110.982 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.15 -52.94 62.74 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.085 -1.009 . . . . 0.0 111.942 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.98 -20.36 14.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.434 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.46 10.08 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.147 -0.971 . . . . 0.0 110.78 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.01 82.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.056 -1.028 . . . . 0.0 111.207 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.19 -41.23 99.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.14 -40.49 94.05 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.246 -0.909 . . . . 0.0 109.121 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.84 -40.48 82.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.616 0.722 . . . . 0.0 109.759 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.04 86.54 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.566 -0.709 . . . . 0.0 110.255 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.7 -39.48 84.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.047 . . . . 0.0 109.152 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.86 -39.62 85.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.774 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.65 -36.49 83.01 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.213 -0.929 . . . . 0.0 109.435 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.91 -40.61 89.4 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 0.0 110.301 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.19 -28.96 65.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.888 -1.133 . . . . 0.0 108.886 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.74 -42.66 97.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.462 -0.774 . . . . 0.0 109.669 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.024 -1.048 . . . . 0.0 109.079 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.05 -39.76 87.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.3 -0.875 . . . . 0.0 108.927 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.435 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.494 2.558 . . . . 0.0 119.494 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.4 ' O ' ' N ' ' B' ' 6' ' ' THR . 50.7 m -105.38 19.93 19.74 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.083 -1.246 . . . . 0.0 109.173 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 45.8 mt-10 -60.16 -49.71 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.788 . . . . 0.0 109.301 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 2.0 tt -71.86 -39.99 69.29 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.65 -40.19 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 2' ' ' SER . 22.0 m -62.45 -22.65 66.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.06 80.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -81.13 -33.21 33.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.881 -1.137 . . . . 0.0 110.437 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' B' ' 9' ' ' GLU . 0.2 OUTLIER -71.77 -30.68 65.82 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.081 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -80.0 -51.91 8.47 Favored 'General case' 0 C--O 1.202 -1.411 0 O-C-N 121.17 -0.956 . . . . 0.0 111.568 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.43 -28.26 69.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.274 -1.517 . . . . 0.0 109.118 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.97 -33.56 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.584 -1.323 . . . . 0.0 110.238 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -71.26 -44.47 65.2 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.095 -1.003 . . . . 0.0 110.796 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.5 -32.44 52.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CZ ' ' CD1' ' B' ' 71' ' ' PHE . 65.8 t80 -62.1 -40.05 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.895 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -89.4 -9.21 51.14 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.49 -39.95 51.67 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.443 -0.786 . . . . 0.0 109.183 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -102.82 -27.78 12.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.431 -0.793 . . . . 0.0 111.372 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 58.3 m -60.21 -40.17 89.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.134 -0.979 . . . . 0.0 111.366 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.78 6.22 69.95 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -72.63 -29.72 63.71 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.434 -1.039 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.87 -2.09 56.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.696 -0.627 . . . . 0.0 110.723 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.34 -7.72 77.46 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -90.72 38.34 0.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.413 -1.051 . . . . 0.0 108.407 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.08 -16.22 18.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.566 -0.709 . . . . 0.0 110.591 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.53 -19.34 65.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.73 -1.231 . . . . 0.0 109.031 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -163.45 169.78 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.204 -0.935 . . . . 0.0 109.761 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -78.92 161.41 26.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.9 m -131.74 164.11 26.71 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.105 -0.997 . . . . 0.0 109.965 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' B' ' 30' ' ' LYS . 3.5 tmtt? -59.92 -40.79 90.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.606 -0.684 . . . . 0.0 110.576 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -74.8 -31.78 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.888 -1.133 . . . . 0.0 110.349 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.54 -45.13 80.45 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.514 -0.741 . . . . 0.0 111.41 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.82 -30.01 67.42 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.91 -1.119 . . . . 0.0 109.713 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 50.4 tptt -59.95 -39.74 86.63 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.412 ' O ' ' CG2' ' B' ' 39' ' ' THR . 94.3 m-20 -69.21 -39.68 78.44 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.737 -0.602 . . . . 0.0 111.841 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.25 -40.01 82.1 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.264 -0.898 . . . . 0.0 111.883 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -75.52 -43.31 49.61 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.688 -1.257 . . . . 0.0 110.628 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.45 HE21 ' C ' ' B' ' 34' ' ' LYS . 17.0 pt20 -68.77 -25.01 64.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.311 -0.868 . . . . 0.0 109.542 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 3.1 p -72.96 -56.52 5.04 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.377 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.2 mt-10 -113.04 -24.86 9.24 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.016 -1.053 . . . . 0.0 113.316 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.411 ' N ' HD13 ' B' ' 41' ' ' LEU . 6.6 mp -110.68 22.3 15.56 Favored 'General case' 0 N--CA 1.516 2.835 0 O-C-N 120.567 -1.333 . . . . 0.0 111.167 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.545 ' HG ' ' H ' ' B' ' 43' ' ' SER . 12.3 p -59.94 -49.34 78.07 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.682 -1.261 . . . . 0.0 110.777 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.545 ' H ' ' HG ' ' B' ' 42' ' ' SER . 68.7 m -61.47 -40.13 93.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.014 -1.053 . . . . 0.0 111.663 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.02 -69.9 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 109.931 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.85 96.8 7.74 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.33 138.74 54.5 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 118.551 -1.26 . . . . 0.0 107.722 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.493 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 1.6 p -161.5 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.012 -1.055 . . . . 0.0 110.403 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.25 -42.85 96.2 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.683 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -73.23 -39.09 65.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.913 -1.117 . . . . 0.0 109.605 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -101.91 79.76 1.94 Allowed 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.16 0.981 . . . . 0.0 109.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.57 -22.74 46.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 18.5 p-10 -72.01 -26.01 62.05 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.08 83.02 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.59 -30.18 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.166 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.21 -40.0 93.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.839 -1.163 . . . . 0.0 109.288 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.7 -39.83 73.22 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.164 0.983 . . . . 0.0 110.385 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -40.0 84.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.42 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.559 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.3 ptm -81.76 -27.19 33.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.81 -42.92 85.25 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.966 -1.084 . . . . 0.0 109.561 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.1 mp -84.0 -69.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.521 -0.737 . . . . 0.0 109.44 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -67.85 39.38 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.134 -0.979 . . . . 0.0 109.408 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.6 pt-20 -57.99 -8.83 1.12 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' B' ' 62' ' ' ASP . 23.2 m120 -86.45 -3.12 58.95 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.866 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.94 27.5 73.42 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.7 p-10 -88.24 -3.01 58.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.512 -0.993 . . . . 0.0 109.961 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.49 6.39 0.18 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 66' ' ' ASP . 93.0 mt-10 -131.61 125.42 32.18 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.249 -1.147 . . . . 0.0 108.74 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.2 t -93.9 142.71 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.427 -0.796 . . . . 0.0 109.036 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 65.5 t0 -61.96 -48.27 81.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.801 -1.187 . . . . 0.0 110.926 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' CZ ' ' B' ' 15' ' ' PHE . 0.9 OUTLIER 146.01 -61.08 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.86 -35.16 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -42.67 95.55 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.2 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.48 -49.9 65.08 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -60.19 -40.13 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.08 -1.013 . . . . 0.0 111.806 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -41.62 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.837 -1.165 . . . . 0.0 110.875 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.21 -52.42 64.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.172 -0.955 . . . . 0.0 112.191 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.32 -20.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.443 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.68 -55.39 10.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 110.766 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.96 81.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.959 -1.088 . . . . 0.0 111.275 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.58 -42.0 99.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.901 -1.124 . . . . 0.0 109.132 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -61.16 -40.17 92.86 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.351 -0.843 . . . . 0.0 109.22 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.16 -40.12 82.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.95 86.18 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.62 -0.675 . . . . 0.0 110.496 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.83 -39.9 86.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.981 -1.075 . . . . 0.0 109.083 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.64 -39.71 85.26 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.24 -36.99 83.7 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.0 109.497 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -59.8 -40.04 87.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.162 -0.962 . . . . 0.0 110.435 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -70.65 -29.17 65.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.8 -1.187 . . . . 0.0 108.654 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.373 -0.829 . . . . 0.0 109.709 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.04 -39.99 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.32 -39.69 87.91 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 108.928 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.632 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.592 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.46 2.544 . . . . 0.0 119.46 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.0 p -72.75 24.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.162 -1.199 . . . . 0.0 108.954 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.592 ' H ' ' C ' ' A' ' 1' ' ' GLY . 53.2 mt-10 -60.17 -48.46 81.64 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.91 -40.0 75.83 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.94 -39.72 87.36 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' SER . 16.8 m -63.75 -22.22 66.8 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.64 81.41 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 110.186 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -81.03 -30.83 34.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.017 -1.052 . . . . 0.0 110.413 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.82 -30.39 62.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.287 -0.883 . . . . 0.0 110.212 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' B' ' 3' ' ' GLU . 6.7 t -79.47 -50.81 10.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.391 -0.818 . . . . 0.0 111.61 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -30.67 69.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.366 -1.459 . . . . 0.0 110.552 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -73.4 -27.88 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 119.914 -1.742 . . . . 0.0 110.336 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.69 -46.52 30.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.335 -0.853 . . . . 0.0 110.575 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.13 -32.92 60.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.0 t80 -60.05 -43.94 95.04 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.036 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -87.56 -4.19 58.97 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.8 -40.01 25.72 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.302 -0.874 . . . . 0.0 109.416 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -104.12 -23.35 13.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.676 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 66.3 m -68.19 -26.09 65.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.605 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 2.71 59.63 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -71.05 -34.11 70.92 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -94.19 -5.7 46.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.556 -0.715 . . . . 0.0 110.814 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.01 75.24 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -87.56 42.83 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -1.124 . . . . 0.0 108.269 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -61.17 -7.85 3.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.882 -0.511 . . . . 0.0 111.341 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -85.04 -13.02 51.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.637 -1.29 . . . . 0.0 109.424 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -160.09 160.33 32.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.329 -0.857 . . . . 0.0 109.088 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.8 tp -84.59 164.84 18.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.001 -1.062 . . . . 0.0 108.419 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -135.17 168.56 18.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.861 -1.15 . . . . 0.0 109.82 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.68 -41.58 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.259 -0.901 . . . . 0.0 112.233 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.0 -31.62 44.85 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.576 -1.328 . . . . 0.0 110.777 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 95.9 mt-10 -61.14 -45.91 92.72 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.378 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.95 -31.51 69.28 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.198 -0.939 . . . . 0.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -61.35 -40.06 92.87 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.047 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 36' ' ' LEU . 2.9 p30 -66.55 -39.7 88.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.882 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 88.8 mt -60.61 -41.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.353 -0.842 . . . . 0.0 111.679 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.36 -42.62 35.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.67 -1.269 . . . . 0.0 111.538 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' A' ' 42' ' ' SER . 13.5 pt20 -72.1 -22.06 61.4 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.836 0.827 . . . . 0.0 109.206 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 2.3 p -70.08 -57.31 5.12 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 120.911 -1.118 . . . . 0.0 109.685 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' B' ' 1' ' ' GLY . 15.2 mm-40 -113.05 -20.24 11.58 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.073 -1.017 . . . . 0.0 113.171 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.5 mp -111.3 28.7 8.48 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 120.481 -1.387 . . . . 0.0 111.399 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 53.5 m -60.02 -40.94 91.03 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.856 -1.153 . . . . 0.0 111.425 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -70.87 -41.29 71.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.872 -1.143 . . . . 0.0 112.131 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -80.0 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.755 -1.216 . . . . 0.0 110.529 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -83.43 94.38 7.98 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.1 129.3 40.65 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.234 -1.386 . . . . 0.0 107.964 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -144.08 -76.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.469 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' H ' ' CG1' ' A' ' 47' ' ' VAL . 6.2 pt20 -43.27 -35.84 1.6 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.709 -0.62 . . . . 0.0 110.474 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -73.13 -44.62 59.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.617 -1.302 . . . . 0.0 108.387 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 1.6 p30 -104.36 88.3 2.94 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.024 0.916 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.35 -19.24 54.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.92 -22.43 45.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.732 -1.23 . . . . 0.0 108.365 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.61 80.13 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.53 -30.77 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.467 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.62 -40.09 92.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.084 -1.01 . . . . 0.0 108.795 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.51 -39.97 77.25 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-N 115.069 -0.968 . . . . 0.0 113.393 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -76.42 -29.29 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttp -74.46 -31.63 62.3 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -49.98 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.25 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.74 -39.19 93.34 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.902 0.858 . . . . 0.0 108.713 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 61' ' ' LEU . 4.1 mp -68.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.671 0.748 . . . . 0.0 109.451 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 97.3 m-20 -83.4 42.78 0.84 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -49.32 -19.45 0.5 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 62' ' ' ASP . 65.1 t30 -78.63 -9.15 59.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.722 -0.611 . . . . 0.0 109.942 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.4 32.74 71.97 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.549 ' C ' ' H ' ' A' ' 68' ' ' GLU . 51.3 p-10 -90.02 -0.09 57.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.189 -1.183 . . . . 0.0 110.586 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.96 4.42 1.0 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' A' ' 66' ' ' ASP . 60.5 mm-40 -129.43 146.8 51.23 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 71' ' ' PHE . 40.5 t -119.02 138.98 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 CA-C-O 121.45 0.643 . . . . 0.0 110.353 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 72' ' ' GLN . 9.3 t70 -78.24 14.98 1.03 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 68.4 t80 62.42 -39.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.989 -0.444 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.6 mt-30 -66.38 -39.94 89.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 108.105 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -60.65 -39.96 90.26 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.206 1.003 . . . . 0.0 108.619 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.08 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -39.72 81.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 111.178 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.95 -42.89 98.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 O-C-N 119.874 -1.766 . . . . 0.0 111.736 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.68 -58.31 3.36 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.829 -1.169 . . . . 0.0 112.575 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.1 m -72.24 -28.09 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.608 -1.307 . . . . 0.0 112.782 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.78 -48.25 47.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.54 -1.35 . . . . 0.0 109.416 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.61 90.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.941 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -48.44 81.69 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.112 -0.993 . . . . 0.0 110.473 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.991 -1.068 . . . . 0.0 110.31 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.0 -43.79 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.399 -0.813 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.44 82.67 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.06 -39.91 87.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.99 -1.069 . . . . 0.0 109.76 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 110.191 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.11 -36.76 82.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.009 -1.057 . . . . 0.0 109.704 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -85.0 -19.84 31.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 110.409 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -66.77 -41.08 88.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.976 -1.078 . . . . 0.0 109.743 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -70.4 -24.84 63.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.079 -1.013 . . . . 0.0 109.9 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 93' ' ' SER . 13.1 t-20 -59.92 -40.05 87.54 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.341 -0.85 . . . . 0.0 108.943 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.598 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.439 2.536 . . . . 0.0 119.439 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.537 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.9 p -72.78 24.35 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.129 -1.219 . . . . 0.0 109.064 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' B' ' 1' ' ' GLY . 57.3 mt-10 -60.09 -48.86 79.96 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.64 -40.0 76.78 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.95 -39.54 87.29 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.537 ' N ' ' O ' ' B' ' 2' ' ' SER . 17.5 m -63.84 -22.39 66.89 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.91 82.87 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.653 0.739 . . . . 0.0 110.233 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -81.09 -30.65 34.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.021 -1.049 . . . . 0.0 110.475 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.01 -30.46 62.47 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 110.195 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.0 t -79.24 -51.26 9.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.381 -0.824 . . . . 0.0 111.691 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -30.39 69.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.373 -1.454 . . . . 0.0 110.604 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 pt -73.7 -27.49 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 119.9 -1.75 . . . . 0.0 110.447 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -76.37 -46.03 29.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.092 -1.005 . . . . 0.0 110.586 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.97 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 7.9 t80 -60.11 -44.03 95.17 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.927 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -87.77 -3.28 58.96 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.03 -39.42 23.54 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.332 -0.855 . . . . 0.0 109.431 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -104.32 -23.46 13.21 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.395 -0.815 . . . . 0.0 110.557 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 66.2 m -68.22 -26.2 65.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.544 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.1 2.75 59.85 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -71.08 -34.15 70.89 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.612 -0.934 . . . . 0.0 108.52 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -94.15 -5.78 46.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.617 -0.677 . . . . 0.0 110.774 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.03 75.27 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.42 42.83 1.06 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.374 -1.074 . . . . 0.0 108.263 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -61.06 -8.25 3.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.297 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -84.66 -13.39 51.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.672 -1.268 . . . . 0.0 109.475 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.403 ' HZ1' ' HB3' ' B' ' 68' ' ' GLU . 11.9 ttpp -160.11 159.99 32.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.93 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 tp -84.24 164.88 18.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.064 -1.023 . . . . 0.0 108.587 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -134.38 169.3 17.44 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.917 -1.115 . . . . 0.0 110.037 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -60.03 -41.91 93.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 112.132 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.18 -31.62 43.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.686 -1.259 . . . . 0.0 110.755 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 95.6 mt-10 -61.41 -45.56 93.82 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.367 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.98 -31.65 69.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.294 -0.879 . . . . 0.0 110.787 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -61.33 -40.0 92.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.998 -1.064 . . . . 0.0 110.072 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 2.9 p30 -67.3 -37.85 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.0 110.08 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 90.3 mt -62.28 -40.6 96.79 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 111.531 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.23 -43.32 33.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.749 -1.219 . . . . 0.0 111.446 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.519 ' O ' ' OG ' ' B' ' 42' ' ' SER . 13.5 pt20 -71.65 -22.28 61.7 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.817 0.818 . . . . 0.0 109.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 2.3 p -69.7 -57.51 5.05 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 120.768 -1.208 . . . . 0.0 109.72 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 1' ' ' GLY . 16.0 mm-40 -112.96 -20.44 11.55 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.047 -1.033 . . . . 0.0 113.176 -178.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.422 ' N ' HD13 ' B' ' 41' ' ' LEU . 6.5 mp -111.22 28.65 8.52 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 120.498 -1.376 . . . . 0.0 111.399 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.519 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 53.7 m -59.98 -41.06 91.18 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.845 -1.16 . . . . 0.0 111.293 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.5 m -70.42 -41.54 72.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.883 -1.136 . . . . 0.0 112.186 -177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -80.02 -69.93 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.727 -1.233 . . . . 0.0 110.544 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.59 94.85 8.17 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.27 129.37 40.95 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 118.206 -1.398 . . . . 0.0 107.901 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.18 -76.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.174 -0.954 . . . . 0.0 109.54 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -43.56 -35.79 1.84 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.494 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -72.96 -44.62 60.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.737 -1.227 . . . . 0.0 108.509 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 1.5 p30 -104.24 87.86 2.85 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.011 0.91 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -20.09 55.68 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.258 -0.901 . . . . 0.0 109.154 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -77.96 -23.27 48.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.784 -1.198 . . . . 0.0 108.479 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.01 84.09 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -70.44 -30.41 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.158 -0.964 . . . . 0.0 109.569 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.01 -39.9 90.64 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.035 -1.041 . . . . 0.0 108.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.67 -40.09 76.62 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.225 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 pt -76.59 -28.8 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.588 -1.32 . . . . 0.0 109.063 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttp -74.45 -31.69 62.34 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.51 -39.38 93.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.403 HD13 ' N ' ' B' ' 61' ' ' LEU . 3.7 mp -68.92 -60.0 2.67 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.709 0.766 . . . . 0.0 109.4 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.475 ' C ' ' N ' ' B' ' 64' ' ' ASN . 97.4 m-20 -83.71 43.0 0.88 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -49.54 -19.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.475 ' N ' ' C ' ' B' ' 62' ' ' ASP . 65.1 t30 -79.27 -8.88 59.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.715 -0.615 . . . . 0.0 109.747 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.03 33.0 73.55 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.9 p-10 -90.0 0.0 57.34 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.143 -1.21 . . . . 0.0 110.627 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 4.91 0.99 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' B' ' 66' ' ' ASP . 60.1 mm-40 -129.49 147.01 51.26 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.42 HG11 ' H ' ' B' ' 71' ' ' PHE . 40.2 t -119.09 139.16 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-O 121.508 0.671 . . . . 0.0 110.337 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' B' ' 72' ' ' GLN . 9.3 t70 -78.42 15.04 1.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.363 -0.835 . . . . 0.0 110.111 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 68.1 t80 62.45 -39.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 122.015 -0.428 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' B' ' 70' ' ' ASP . 96.6 mt-30 -65.93 -39.91 90.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.493 -1.38 . . . . 0.0 108.186 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.74 -39.98 90.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.166 0.984 . . . . 0.0 108.591 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.13 -48.66 80.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.315 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 O-C-N 121.006 -1.059 . . . . 0.0 111.035 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.51 -43.07 98.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 O-C-N 120.198 -1.564 . . . . 0.0 111.683 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.9 -58.41 3.3 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.827 -1.17 . . . . 0.0 112.675 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 m -72.19 -27.87 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.637 -1.289 . . . . 0.0 112.818 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.19 47.16 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.575 -1.328 . . . . 0.0 109.385 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.294 -0.879 . . . . 0.0 109.975 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -48.51 81.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.153 -0.967 . . . . 0.0 110.328 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -39.98 87.71 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.423 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -43.89 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 110.211 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.4 82.76 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.517 -0.74 . . . . 0.0 110.339 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.119 -0.988 . . . . 0.0 109.795 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -40.09 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.171 -0.955 . . . . 0.0 110.243 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -67.13 -36.59 82.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.98 -1.075 . . . . 0.0 109.712 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.496 -0.752 . . . . 0.0 110.074 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -85.05 -19.83 31.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.881 -1.137 . . . . 0.0 110.411 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -66.72 -40.92 88.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.09 . . . . 0.0 109.867 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -70.64 -24.67 62.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.058 -1.026 . . . . 0.0 109.861 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' B' ' 93' ' ' SER . 13.1 t-20 -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.946 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.081 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.727 2.651 . . . . 0.0 119.727 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 6' ' ' THR . 69.1 p -105.61 18.64 21.86 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.316 -1.108 . . . . 0.0 109.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 2.7 mm-40 -59.95 -47.55 85.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.164 -0.96 . . . . 0.0 108.689 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.59 -42.79 61.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.04 -40.08 94.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' SER . 17.7 m -67.27 -21.92 65.69 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.08 78.43 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.315 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.4 mmm -80.57 -32.92 36.46 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 110.482 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -71.17 -33.92 70.45 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 6.1 t -77.58 -45.75 24.3 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 112.415 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 10' ' ' THR . 1.7 pp -66.13 -25.65 67.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.089 -1.632 . . . . 0.0 110.344 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 pt -78.53 -31.23 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.292 -1.505 . . . . 0.0 110.206 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.24 -41.25 67.04 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.34 -35.35 57.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' A' ' 19' ' ' SER . 42.7 t80 -59.98 -40.08 87.9 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.97 -10.87 52.17 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -39.98 63.19 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.432 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -101.84 -34.76 9.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.512 -0.743 . . . . 0.0 111.149 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 56.8 m -59.97 -39.47 85.76 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.161 -0.962 . . . . 0.0 110.741 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.9 9.45 75.4 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.11 -29.08 25.13 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.527 -0.984 . . . . 0.0 109.944 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.62 -6.95 35.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.932 . . . . 0.0 111.301 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.41 52.96 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 106.889 -2.484 . . . . 0.0 106.889 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.8 t0 49.67 43.25 24.29 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.843 -1.387 . . . . 0.0 108.236 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -80.61 11.42 3.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.762 -0.586 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -56.8 -16.88 7.4 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -166.98 172.45 10.19 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -77.64 167.36 21.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.925 . . . . 0.0 108.614 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.545 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 5.2 p -134.33 165.01 26.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.974 -1.079 . . . . 0.0 110.021 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.94 -39.94 83.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.769 -0.582 . . . . 0.0 111.89 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -28.51 45.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.497 -1.377 . . . . 0.0 110.413 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 29' ' ' SER . 60.1 mt-10 -64.45 -50.09 68.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 110.534 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.54 -35.45 79.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.835 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 60.3 tttm -60.42 -39.97 89.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.157 -0.964 . . . . 0.0 109.837 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -64.97 -40.03 94.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.571 -0.706 . . . . 0.0 110.792 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.86 -39.98 94.41 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.247 -0.908 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.92 -44.16 56.03 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.827 -1.171 . . . . 0.0 111.423 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.434 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 3.3 pt20 -70.05 -21.75 63.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.329 -0.857 . . . . 0.0 109.601 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -77.75 -55.48 5.3 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 121.043 -1.035 . . . . 0.0 110.893 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.6 mt-10 -111.74 -28.0 8.28 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.193 -0.942 . . . . 0.0 112.775 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -109.59 26.61 10.44 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 120.739 -1.225 . . . . 0.0 110.772 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 p -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.785 -1.197 . . . . 0.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 t -68.38 -40.01 81.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.102 -0.999 . . . . 0.0 111.164 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.52 -70.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.874 -1.141 . . . . 0.0 110.942 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -85.0 96.53 9.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 34.4 p-10 -59.81 94.52 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.229 -0.919 . . . . 0.0 109.634 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.38 -24.96 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.473 -0.767 . . . . 0.0 109.924 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -78.52 -62.41 1.7 Allowed 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.059 -1.025 . . . . 0.0 111.718 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -59.92 -42.54 94.17 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.207 -0.933 . . . . 0.0 110.682 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 81.8 m-20 -100.61 74.13 1.66 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.476 -1.39 . . . . 0.0 109.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.05 -18.67 3.84 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.922 -1.111 . . . . 0.0 108.171 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -76.57 -21.46 55.62 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -66.19 -35.38 80.29 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.97 -26.18 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.785 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -69.9 -40.0 75.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.806 -1.183 . . . . 0.0 108.515 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -69.9 -39.94 75.92 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.104 0.954 . . . . 0.0 110.092 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -40.07 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.561 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.0 ptm -77.2 -27.03 53.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.836 -1.165 . . . . 0.0 109.679 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.14 -44.96 92.08 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.653 -0.655 . . . . 0.0 109.59 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.32 -39.9 94.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 108.279 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.5 mp -71.34 -61.14 1.88 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.798 0.808 . . . . 0.0 109.341 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 64' ' ' ASN . 86.5 m-20 -82.79 40.97 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.4 -16.44 0.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 62' ' ' ASP . 57.3 t30 -85.89 -6.71 59.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.773 -0.58 . . . . 0.0 110.015 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.04 31.72 69.51 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 68' ' ' GLU . 56.9 p30 -89.09 -2.08 58.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -1.219 . . . . 0.0 110.138 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.26 4.73 1.97 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.1 mt-10 -133.04 132.96 42.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -100.77 146.84 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 121.837 0.827 . . . . 0.0 111.409 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.9 t0 -86.6 26.14 1.14 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 26.1 p90 53.36 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -60.06 -39.53 86.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 119.995 -1.691 . . . . 0.0 108.594 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.98 -40.03 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.057 -1.027 . . . . 0.0 108.844 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.57 -47.4 85.67 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -40.02 81.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.931 -1.106 . . . . 0.0 111.565 -176.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.16 -40.03 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.391 -1.443 . . . . 0.0 111.771 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.45 -57.26 6.11 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.69 -1.257 . . . . 0.0 111.589 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.4 m -70.97 -23.58 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.679 -1.263 . . . . 0.0 111.758 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.75 66.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 109.585 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.94 86.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.4 -47.81 66.32 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.714 -1.242 . . . . 0.0 110.834 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.3 m -63.01 -40.53 98.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.917 -1.114 . . . . 0.0 110.755 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.6 -44.54 98.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.445 -0.784 . . . . 0.0 109.514 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.93 87.68 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.678 -0.639 . . . . 0.0 110.973 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.5 m -59.91 -39.95 87.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.117 -0.989 . . . . 0.0 109.738 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 110.447 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -66.18 -40.06 90.17 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.915 -1.116 . . . . 0.0 109.722 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -60.02 -39.99 87.72 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.614 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -80.01 -19.04 48.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.076 -1.015 . . . . 0.0 109.444 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.454 ' CZ3' ' NZ ' ' B' ' 25' ' ' LYS . 58.9 t90 -68.22 -44.42 75.78 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.159 -0.963 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.93 -37.64 75.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.651 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.69 -14.51 60.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.0 109.935 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.538 -179.607 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.534 2.574 . . . . 0.0 119.534 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' THR . 67.9 p -105.62 18.62 21.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.341 -1.094 . . . . 0.0 109.712 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 2.8 mm-40 -59.98 -47.38 86.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 108.526 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.47 -42.95 61.27 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.2 m -67.1 -21.8 65.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.08 78.6 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.234 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -80.59 -32.96 36.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.032 -1.042 . . . . 0.0 110.457 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.23 -34.13 70.49 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.452 -0.78 . . . . 0.0 110.308 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -77.35 -46.18 23.69 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 112.38 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.78 -25.45 67.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.044 -1.66 . . . . 0.0 110.349 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 pt -79.06 -30.52 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.264 -1.522 . . . . 0.0 110.311 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -73.14 -40.75 64.64 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.157 -0.965 . . . . 0.0 109.597 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.36 -35.37 57.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' B' ' 19' ' ' SER . 42.9 t80 -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -86.97 -10.77 52.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.0 -40.0 63.24 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -102.0 -34.49 9.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.527 -0.733 . . . . 0.0 111.165 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 59.1 m -60.05 -39.81 87.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 0.0 110.632 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.77 9.69 75.17 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -85.48 -28.59 24.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.952 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.85 -6.67 35.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.192 -0.943 . . . . 0.0 111.291 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.04 -173.62 53.45 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 106.938 -2.465 . . . . 0.0 106.938 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.89 43.2 25.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.843 -1.387 . . . . 0.0 108.161 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.454 ' NZ ' ' CZ3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -80.49 11.43 3.71 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.822 -0.549 . . . . 0.0 110.893 -178.069 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -56.57 -17.67 9.27 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -166.67 171.88 11.15 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -77.02 166.93 22.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.215 -0.928 . . . . 0.0 108.689 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.544 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 4.9 p -132.85 166.22 22.79 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.094 -1.004 . . . . 0.0 109.869 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -60.0 -39.95 87.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 111.809 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -28.48 44.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.532 -1.355 . . . . 0.0 110.482 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 29' ' ' SER . 59.9 mt-10 -64.46 -50.22 68.37 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.53 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.46 -35.59 79.48 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.746 . . . . 0.0 110.772 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.631 ' HZ1' ' NE2' ' B' ' 38' ' ' GLN . 59.6 tttm -60.14 -40.02 88.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.096 -1.003 . . . . 0.0 109.945 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.427 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.3 m-20 -64.76 -40.02 94.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.561 -0.712 . . . . 0.0 111.109 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.21 -40.01 93.56 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.268 -0.895 . . . . 0.0 110.879 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 mt -73.73 -44.16 57.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.745 -1.222 . . . . 0.0 111.499 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.631 ' NE2' ' HZ1' ' B' ' 34' ' ' LYS . 3.3 pt20 -70.06 -21.7 63.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.267 -0.895 . . . . 0.0 109.608 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 3.2 p -77.77 -55.37 5.39 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 120.993 -1.067 . . . . 0.0 110.964 -178.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.9 mt-10 -111.75 -28.16 8.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.142 -0.973 . . . . 0.0 112.717 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.54 26.37 10.72 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 120.699 -1.251 . . . . 0.0 110.744 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.576 ' HG ' ' N ' ' B' ' 43' ' ' SER . 51.6 p -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.86 -1.15 . . . . 0.0 110.678 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.576 ' N ' ' HG ' ' B' ' 42' ' ' SER . 29.4 t -68.2 -40.02 82.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.053 -1.029 . . . . 0.0 111.164 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.65 -70.25 0.52 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.917 -1.114 . . . . 0.0 110.899 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.9 96.49 9.36 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 34.3 p-10 -59.89 94.18 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.307 -0.871 . . . . 0.0 109.689 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.09 -25.0 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.425 -0.797 . . . . 0.0 109.953 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.43 -62.31 1.73 Allowed 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 111.671 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.11 -42.21 94.22 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 110.735 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.2 m-20 -100.76 73.74 1.61 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.593 -1.317 . . . . 0.0 109.611 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.73 -18.81 3.43 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.842 -1.161 . . . . 0.0 108.133 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 17.1 p-10 -76.42 -21.77 55.53 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.54 -36.35 83.55 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -77.51 -26.11 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -69.86 -40.02 76.0 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.849 -1.157 . . . . 0.0 108.495 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -69.78 -40.12 76.23 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.033 0.92 . . . . 0.0 110.095 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -40.01 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 26.5 ptm -77.21 -27.09 53.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.812 -1.18 . . . . 0.0 109.695 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -58.77 -45.28 90.16 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.657 -0.652 . . . . 0.0 109.453 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.13 -39.97 95.17 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.041 -1.037 . . . . 0.0 108.322 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.2 mp -71.49 -61.04 1.92 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.758 0.79 . . . . 0.0 109.346 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.46 ' C ' ' N ' ' B' ' 64' ' ' ASN . 87.5 m-20 -82.79 40.9 0.7 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.55 -16.13 0.2 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.46 ' N ' ' C ' ' B' ' 62' ' ' ASP . 57.0 t30 -86.09 -6.96 58.92 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.658 -0.651 . . . . 0.0 109.926 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.24 32.02 68.85 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' B' ' 68' ' ' GLU . 57.4 p-10 -89.33 -1.96 58.26 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.192 -1.181 . . . . 0.0 110.186 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.13 4.76 1.89 Allowed Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 66' ' ' ASP . 97.1 mt-10 -132.95 132.99 42.62 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.405 -1.056 . . . . 0.0 108.155 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.02 146.41 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.88 0.847 . . . . 0.0 111.482 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 72' ' ' GLN . 22.3 t0 -86.19 25.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.679 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 23.2 p90 53.68 -47.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.6 tt0 -59.96 -39.55 86.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.041 -1.662 . . . . 0.0 108.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.9 -40.12 87.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.99 -1.069 . . . . 0.0 108.858 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.58 -47.62 84.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -40.07 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.802 -1.186 . . . . 0.0 111.54 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.65 -40.03 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.715 -1.24 . . . . 0.0 111.724 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.9 -57.61 5.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.737 -1.227 . . . . 0.0 111.528 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.2 m -70.7 -23.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.727 -1.233 . . . . 0.0 111.755 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -45.61 65.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.68 -1.262 . . . . 0.0 109.545 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.97 86.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.502 -0.749 . . . . 0.0 111.782 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.28 -48.0 66.17 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.757 -1.214 . . . . 0.0 110.792 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -62.84 -40.95 99.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.884 -1.135 . . . . 0.0 110.684 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -44.64 98.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.545 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.694 -0.629 . . . . 0.0 111.026 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.84 -39.97 86.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.04 -1.037 . . . . 0.0 109.858 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.93 -40.01 87.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.333 -0.855 . . . . 0.0 110.407 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -66.15 -40.0 90.24 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.994 -1.066 . . . . 0.0 109.698 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.1 -39.92 87.87 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.138 -0.976 . . . . 0.0 110.722 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -80.07 -19.04 48.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.956 -1.09 . . . . 0.0 109.435 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -68.13 -44.41 76.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.035 . . . . 0.0 109.21 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.98 -37.74 75.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -75.61 -14.56 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.0 109.958 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.573 -179.558 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.911 0 N-CA-C 119.165 2.426 . . . . 0.0 119.165 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -96.77 30.67 2.57 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.394 -1.063 . . . . 0.0 109.045 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -60.0 -49.87 75.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 110.558 -179.354 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 62.3 tp -67.52 -47.85 68.76 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.42 -39.94 89.21 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.129 -0.982 . . . . 0.0 108.723 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m -62.56 -22.08 66.06 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.1 -35.66 76.71 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.166 -0.959 . . . . 0.0 110.173 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -38.07 48.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.993 -1.067 . . . . 0.0 109.975 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -69.78 -25.66 63.9 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.428 1.109 . . . . 0.0 109.168 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -72.79 -58.42 3.35 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.382 -177.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.66 -24.82 63.67 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.52 -31.55 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.532 -1.355 . . . . 0.0 110.147 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -72.51 -43.73 63.19 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.475 -0.766 . . . . 0.0 110.716 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 m -74.13 -31.56 29.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 122.37 1.081 . . . . 0.0 108.591 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.89 -39.96 95.39 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.708 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -88.41 -11.4 46.19 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.62 63.88 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.255 -0.903 . . . . 0.0 108.953 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.03 -35.1 10.55 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.535 -0.728 . . . . 0.0 111.037 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -59.93 -39.34 85.17 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.336 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.01 1.76 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.22 -68.76 0.66 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.406 -1.056 . . . . 0.0 108.515 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -124.56 -8.88 7.41 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.264 -0.574 . . . . 0.0 112.406 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.68 -174.49 43.2 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 50.01 37.61 14.52 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -15.92 59.45 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.404 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 39.9 t80 -90.3 -8.49 50.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.837 -1.165 . . . . 0.0 109.622 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -168.67 172.97 7.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.017 -1.052 . . . . 0.0 109.504 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -79.18 165.28 23.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.94 -1.1 . . . . 0.0 109.356 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -133.16 162.38 31.91 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.153 -0.967 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.964 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -74.57 -31.52 62.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.78 -1.2 . . . . 0.0 110.245 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.9 -42.07 77.39 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.395 -0.816 . . . . 0.0 111.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.03 -34.74 73.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.084 -1.01 . . . . 0.0 111.059 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.61 -36.51 78.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.911 -1.118 . . . . 0.0 109.556 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' THR . 95.7 m-20 -66.09 -40.64 90.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.274 -0.891 . . . . 0.0 110.45 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' A' ' 39' ' ' THR . 54.2 mt -64.57 -39.97 94.7 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 111.689 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.4 mt -76.97 -41.8 41.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.586 -1.321 . . . . 0.0 111.468 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.15 -21.0 63.12 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.158 -0.964 . . . . 0.0 108.742 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 1.9 p -73.4 -59.01 2.91 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.824 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -111.96 -29.41 7.65 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.947 -1.096 . . . . 0.0 112.133 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.42 29.07 7.89 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 120.944 -1.098 . . . . 0.0 110.798 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.9 p -59.92 -43.07 95.12 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.987 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.0 p -74.37 -31.76 62.51 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.823 -1.173 . . . . 0.0 111.038 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -79.98 -69.77 0.56 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.9 -1.125 . . . . 0.0 110.26 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -81.07 97.36 7.49 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 44.5 t0 -54.26 137.71 40.61 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.478 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 1.5 p -164.88 -56.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.997 -1.064 . . . . 0.0 110.683 -178.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.0 -46.87 88.05 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.968 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -70.75 -39.95 72.98 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.733 -1.229 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -105.52 82.92 1.87 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.463 1.125 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.81 -25.96 65.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.556 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.67 -23.24 62.47 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.595 -1.315 . . . . 0.0 107.688 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.54 -36.05 82.95 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.95 -25.97 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.433 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.97 -40.01 75.63 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.694 -1.254 . . . . 0.0 108.752 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -70.19 -40.02 74.88 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -36.35 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-O 121.8 0.81 . . . . 0.0 108.871 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 3.5 tmm? -80.51 -27.02 37.81 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -60.9 -41.91 97.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.587 -0.695 . . . . 0.0 109.946 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -69.42 -25.04 63.93 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.9 mp -80.09 -71.07 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.833 0.825 . . . . 0.0 109.64 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 93.5 m-20 -74.64 41.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.3 tt0 -51.26 -17.53 0.73 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 62' ' ' ASP . 23.3 m120 -82.72 -8.34 59.6 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.224 0.535 . . . . 0.0 109.678 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.83 62.89 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 68' ' ' GLU . 33.0 p-10 -87.82 -7.27 57.49 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.782 -1.422 . . . . 0.0 110.352 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.03 -4.09 1.86 Allowed Glycine 0 N--CA 1.501 3.017 0 O-C-N 120.865 -1.147 . . . . 0.0 110.534 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 66' ' ' ASP . 37.7 mt-10 -123.99 136.4 54.27 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.8 t -99.38 138.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.402 -0.811 . . . . 0.0 109.939 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.3 m-20 -74.16 28.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.606 -0.684 . . . . 0.0 110.373 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 22.7 p90 53.38 -48.19 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.653 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.5 tt0 -60.03 -40.07 88.1 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.451 -1.406 . . . . 0.0 108.994 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.696 -1.252 . . . . 0.0 109.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.23 -49.72 76.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.609 -0.682 . . . . 0.0 112.099 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -29.14 40.66 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 O-C-N 120.38 -1.45 . . . . 0.0 110.211 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.19 -55.93 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.531 -1.356 . . . . 0.0 113.324 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -70.55 -40.14 73.56 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 119.761 -1.837 . . . . 0.0 112.907 -176.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.405 ' H ' HD21 ' A' ' 77' ' ' LEU . 1.6 m -75.94 -27.2 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.058 -1.651 . . . . 0.0 110.931 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.85 73.72 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.613 -1.305 . . . . 0.0 109.251 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.36 68.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.72 77.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.979 -1.076 . . . . 0.0 110.182 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 76.8 p -67.0 -44.91 79.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.033 -1.042 . . . . 0.0 111.818 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 9.7 p -69.15 -43.7 81.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.006 -1.059 . . . . 0.0 110.667 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.58 -42.92 99.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.0 111.115 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -60.04 -39.97 87.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.118 -0.989 . . . . 0.0 110.627 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 20.7 m120 -60.35 -40.09 89.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.915 -1.116 . . . . 0.0 110.262 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.46 -26.53 62.76 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.992 -1.067 . . . . 0.0 109.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -40.08 88.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.058 -1.026 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -72.17 -17.85 61.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.891 . . . . 0.0 109.494 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -65.19 -34.5 78.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 110.367 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 92' ' ' ASN . 12.0 pt-20 -59.78 -38.97 83.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.985 -1.072 . . . . 0.0 109.813 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 93' ' ' SER . 64.3 t-20 -60.0 -39.38 85.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.35 -0.844 . . . . 0.0 109.066 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.4 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.257 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.948 0 N-CA-C 119.256 2.463 . . . . 0.0 119.256 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.3 p -96.22 30.63 2.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.344 -1.092 . . . . 0.0 109.235 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.611 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -60.03 -49.82 76.16 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 110.569 -179.323 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.32 -47.68 69.82 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.676 -1.265 . . . . 0.0 109.167 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.71 -40.01 90.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.964 . . . . 0.0 108.703 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.412 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.7 m -62.46 -22.24 66.07 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.501 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -68.77 -35.98 77.74 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -37.82 47.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.954 -1.091 . . . . 0.0 109.896 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.84 -25.61 63.83 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 122.347 1.07 . . . . 0.0 109.019 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -72.8 -58.27 3.47 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.454 -177.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.93 -24.63 63.4 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.353 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.57 -31.61 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.68 -1.262 . . . . 0.0 110.108 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.82 -43.9 62.13 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.301 -0.874 . . . . 0.0 110.714 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 m -73.52 -32.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 122.508 1.146 . . . . 0.0 108.557 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.65 -40.08 95.95 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.843 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.6 -10.63 48.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.47 62.44 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.165 -0.96 . . . . 0.0 109.0 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -98.01 -34.76 10.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.572 -0.705 . . . . 0.0 111.116 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -60.04 -39.21 85.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 0.0 110.442 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.21 43.42 1.67 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -81.7 -68.44 0.69 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.384 -1.068 . . . . 0.0 108.521 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -124.73 -8.72 7.32 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.276 -0.57 . . . . 0.0 112.31 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -177.02 -174.62 43.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.5 m-20 50.07 37.8 15.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -15.92 59.41 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.488 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 38.5 t80 -89.97 -8.8 50.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.885 -1.134 . . . . 0.0 109.631 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 24' ' ' ASP . 14.6 ptpt -168.74 172.69 7.72 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.97 -1.081 . . . . 0.0 109.404 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.04 165.34 23.51 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.963 -1.086 . . . . 0.0 109.465 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p -132.63 162.68 30.7 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.177 -0.952 . . . . 0.0 109.987 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.0 -39.71 86.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.943 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -75.28 -31.26 60.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.751 -1.218 . . . . 0.0 110.375 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.98 -41.94 77.2 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.481 -0.762 . . . . 0.0 111.637 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.07 -35.22 74.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.195 -0.94 . . . . 0.0 110.891 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.03 -36.61 77.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 109.667 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CG2' ' B' ' 39' ' ' THR . 96.1 m-20 -66.4 -40.02 89.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.548 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.0 mt -65.12 -40.07 93.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 111.602 -178.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 42' ' ' SER . 52.5 mt -76.59 -42.42 42.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.588 -1.32 . . . . 0.0 111.46 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -69.96 -21.08 63.28 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.055 0.931 . . . . 0.0 108.739 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 1.8 p -72.81 -59.79 2.55 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.297 -0.877 . . . . 0.0 110.619 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -111.5 -29.36 7.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.991 -1.068 . . . . 0.0 112.336 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.59 29.34 7.67 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.952 -1.093 . . . . 0.0 110.621 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.1 p -60.11 -42.93 95.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.884 -1.135 . . . . 0.0 111.11 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.2 p -74.45 -32.0 62.45 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.0 111.012 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.07 -69.75 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 110.222 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.2 mm? -80.97 97.55 7.52 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 45.1 t0 -53.96 137.9 38.19 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 1.5 p -165.3 -56.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.004 -1.06 . . . . 0.0 110.549 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -59.84 -46.4 89.38 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -71.14 -39.8 71.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.721 -1.237 . . . . 0.0 109.32 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -105.67 83.18 1.9 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.374 1.083 . . . . 0.0 108.992 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.41 66.0 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.252 -0.905 . . . . 0.0 109.451 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.1 p-10 -70.15 -23.89 63.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.632 -1.292 . . . . 0.0 107.623 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -63.04 -38.61 91.89 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.3 -25.82 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 C-N-CA 119.347 -0.941 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.87 -39.98 76.02 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.777 -1.202 . . . . 0.0 108.635 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.41 -39.91 74.17 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.831 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 3.4 tmm? -80.27 -27.22 38.65 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.686 0.755 . . . . 0.0 109.061 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.58 -42.33 96.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.497 -0.752 . . . . 0.0 110.07 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.12 -25.19 64.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.407 -0.808 . . . . 0.0 108.848 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.6 mp -80.08 -70.87 0.49 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.808 0.813 . . . . 0.0 109.628 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 94.1 m-20 -74.83 41.66 0.16 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.5 tt0 -51.28 -17.24 0.67 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.481 ' N ' ' C ' ' B' ' 62' ' ' ASP . 21.6 m120 -82.85 -8.45 59.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.25 0.548 . . . . 0.0 109.672 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.99 28.02 63.31 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.238 -0.914 . . . . 0.0 110.978 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' B' ' 68' ' ' GLU . 33.3 p-10 -87.45 -7.7 57.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.75 -1.441 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.12 -3.61 2.18 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 120.885 -1.134 . . . . 0.0 110.458 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.9 mt-10 -124.23 136.36 54.1 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' B' ' 71' ' ' PHE . 24.9 t -99.27 138.09 24.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.665 ' O ' ' N ' ' B' ' 72' ' ' GLN . 82.3 m-20 -74.04 28.17 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.549 -0.719 . . . . 0.0 110.293 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 22.6 p90 53.67 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.4 tt0 -59.98 -39.87 87.2 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.473 -1.392 . . . . 0.0 109.049 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.22 -43.61 95.86 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.624 -1.297 . . . . 0.0 109.558 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -60.31 -49.73 76.43 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.717 -0.614 . . . . 0.0 112.08 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -29.7 40.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 120.212 -1.555 . . . . 0.0 110.066 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -56.29 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.019 -1.05 . . . . 0.0 113.321 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.439 HD21 ' H ' ' B' ' 77' ' ' LEU . 0.0 OUTLIER -71.15 -39.87 71.67 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 119.752 -1.843 . . . . 0.0 113.043 -176.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.407 ' H ' HD23 ' B' ' 77' ' ' LEU . 2.4 m -75.97 -27.13 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.026 -1.671 . . . . 0.0 110.96 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.87 73.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.5 -1.375 . . . . 0.0 109.276 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.15 68.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -39.78 77.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.017 -1.052 . . . . 0.0 110.148 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.424 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 82.2 p -67.08 -45.53 77.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.039 -1.038 . . . . 0.0 111.712 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 9.9 p -68.27 -43.88 84.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.924 -1.11 . . . . 0.0 110.65 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.86 -42.52 99.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.996 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.02 -40.31 88.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.126 -0.984 . . . . 0.0 110.705 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.7 m120 -60.22 -39.91 88.32 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.929 -1.107 . . . . 0.0 110.375 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.64 -26.54 62.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.967 -1.083 . . . . 0.0 108.967 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 109.96 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -72.22 -17.74 61.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -65.44 -34.17 77.65 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 110.421 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' B' ' 92' ' ' ASN . 12.6 pt-20 -59.87 -39.03 83.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.088 -1.008 . . . . 0.0 109.813 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' B' ' 93' ' ' SER . 64.3 t-20 -59.96 -39.72 86.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.39 -0.819 . . . . 0.0 108.968 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.4 t . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.811 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -82.71 4.72 23.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.112 -1.228 . . . . 0.0 109.259 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -59.99 -44.82 94.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.44 -0.787 . . . . 0.0 110.268 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.3 tp -68.77 -52.61 28.52 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.532 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' OG1' ' A' ' 10' ' ' THR . 31.5 m -61.7 -22.96 65.79 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.99 -37.25 75.66 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.764 -0.585 . . . . 0.0 111.038 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtt -80.96 -35.02 32.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.78 -1.2 . . . . 0.0 110.221 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.09 -29.26 66.2 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.453 1.121 . . . . 0.0 108.113 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -69.73 -59.02 3.21 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.917 -177.586 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.99 -28.1 65.25 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.119 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.25 -39.82 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.093 -1.004 . . . . 0.0 109.831 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -65.3 -39.89 93.1 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.225 1.012 . . . . 0.0 109.456 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -24.43 16.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -35.98 75.8 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -88.68 -9.03 53.5 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.78 54.89 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.987 -1.07 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 22.7 t-80 -112.55 -25.8 8.98 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.576 -0.702 . . . . 0.0 112.024 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 43.4 t -59.95 -39.02 84.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.897 -1.127 . . . . 0.0 110.74 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.34 0.82 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -87.16 -48.89 7.68 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -1.113 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.95 -33.08 6.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.847 -0.533 . . . . 0.0 111.406 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 25' ' ' LYS . . . -169.39 -166.05 27.77 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 50.02 29.17 3.31 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' GLY . 3.6 tmtt? -65.48 -19.63 66.01 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.124 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.64 -11.71 36.29 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.731 -1.23 . . . . 0.0 110.685 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -160.26 161.41 33.41 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.788 -1.195 . . . . 0.0 109.588 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -79.09 162.19 26.02 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.689 -1.257 . . . . 0.0 108.515 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.6 m -136.86 166.61 23.22 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.797 -1.189 . . . . 0.0 110.169 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -59.87 -40.24 87.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.899 . . . . 0.0 112.396 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -77.85 -28.65 50.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.366 -1.458 . . . . 0.0 110.334 -177.716 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 19' ' ' SER . 94.0 mt-10 -65.06 -48.76 72.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 111.326 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.43 -34.51 76.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.844 . . . . 0.0 111.143 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 55.7 tttm -64.93 -39.97 94.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.927 -1.108 . . . . 0.0 110.338 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 89.5 m-20 -61.2 -40.15 92.88 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.104 -0.998 . . . . 0.0 109.554 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 39' ' ' THR . 85.0 mt -60.38 -40.0 89.3 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.75 -35.6 38.53 Favored 'General case' 0 C--N 1.288 -2.099 0 O-C-N 119.952 -1.717 . . . . 0.0 110.965 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.54 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.9 mt-30 -69.77 -0.47 7.13 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 111.836 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -101.73 -50.88 3.58 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.057 -1.027 . . . . 0.0 111.648 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' OG1' ' A' ' 39' ' ' THR . 42.5 mm-40 -111.89 -31.5 6.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.954 -1.091 . . . . 0.0 112.173 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -110.36 28.7 8.39 Favored 'General case' 0 N--CA 1.513 2.714 0 O-C-N 120.924 -1.11 . . . . 0.0 110.706 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 m -61.44 -41.74 97.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.02 -1.05 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -70.06 -39.4 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.363 -0.835 . . . . 0.0 111.954 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.2 -67.71 0.73 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 109.591 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.4 mt -81.03 97.06 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.34 106.26 0.72 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.569 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.49 -19.23 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.545 -0.722 . . . . 0.0 109.537 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -80.14 -68.02 0.71 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.04 -1.038 . . . . 0.0 112.803 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -45.95 81.67 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 110.963 -176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ALA . 96.2 m-20 -97.15 77.66 2.72 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.543 -1.348 . . . . 0.0 109.498 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.87 -19.98 20.53 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.52 -21.67 57.78 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -35.6 81.05 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -78.87 -24.77 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.235 -0.916 . . . . 0.0 110.223 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -70.09 -39.9 75.29 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.805 -1.184 . . . . 0.0 107.806 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.17 -39.26 75.39 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.618 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.74 -32.05 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.397 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 ttp -83.71 -25.5 30.57 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.61 -36.37 78.42 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.4 mp -77.72 -65.13 1.0 Allowed 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.515 0.674 . . . . 0.0 109.784 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' ASN . 96.9 m-20 -80.82 42.88 0.65 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.0 pt-20 -54.01 -13.9 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' A' ' 62' ' ' ASP . 49.8 t30 -88.65 -6.23 57.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.09 33.64 69.73 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.494 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.2 p-10 -87.95 -5.67 58.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.035 -1.274 . . . . 0.0 110.6 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.83 -2.7 1.81 Allowed Glycine 0 N--CA 1.497 2.739 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.5 mt-10 -130.0 144.82 51.54 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.442 -1.034 . . . . 0.0 108.646 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -113.65 149.03 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 CA-C-O 121.979 0.895 . . . . 0.0 111.756 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.635 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 44.0 t0 -85.49 23.33 1.37 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 30.2 p90 54.59 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 19.7 pt20 -60.05 -37.65 80.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.057 -1.652 . . . . 0.0 108.892 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -60.09 -40.0 88.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.18 -0.95 . . . . 0.0 108.89 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.53 -49.24 72.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.7 -39.9 77.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 120.81 -1.181 . . . . 0.0 111.419 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -68.41 -34.75 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.48 -1.388 . . . . 0.0 111.217 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.4 -58.08 8.23 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.942 -1.098 . . . . 0.0 111.315 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -22.44 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.614 . . . . 0.0 110.686 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.76 57.38 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.178 -0.952 . . . . 0.0 110.216 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.73 74.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.203 -0.936 . . . . 0.0 112.121 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.55 -46.83 74.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.738 -1.226 . . . . 0.0 111.12 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.6 -40.76 89.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.845 -1.159 . . . . 0.0 111.029 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.21 -42.13 92.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.387 -0.82 . . . . 0.0 109.394 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.15 92.58 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.646 -0.659 . . . . 0.0 110.14 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.11 -42.51 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.158 -0.964 . . . . 0.0 110.646 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.928 -1.108 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.93 -38.58 86.3 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.298 -0.876 . . . . 0.0 108.696 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.17 -40.97 91.83 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.291 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -70.03 -37.4 75.6 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.969 -1.082 . . . . 0.0 108.929 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -86.5 0.66 53.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.542 -0.724 . . . . 0.0 109.945 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.08 -40.65 90.31 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.015 -1.053 . . . . 0.0 108.651 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -85.0 -6.56 59.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.355 -0.84 . . . . 0.0 109.438 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.469 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -82.66 4.75 23.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.156 . . . . 0.0 109.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.439 -0.788 . . . . 0.0 110.163 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.55 -52.47 31.54 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.564 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -39.96 87.43 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.505 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.4 m -61.75 -23.17 65.99 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.492 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -69.42 -37.55 77.48 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.344 0.592 . . . . 0.0 110.961 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.4 mtt -80.9 -35.13 32.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.286 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.03 -29.04 65.99 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.475 1.131 . . . . 0.0 108.14 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.7 OUTLIER -70.03 -59.0 3.18 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.819 -177.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.943 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.48 -39.4 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.216 -0.927 . . . . 0.0 110.035 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -65.82 -40.1 91.52 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.138 0.97 . . . . 0.0 109.499 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.06 -24.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.78 -36.03 75.38 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -88.48 -9.2 53.26 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.37 55.3 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.884 -1.135 . . . . 0.0 109.694 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.535 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 22.7 t-80 -112.63 -25.9 8.9 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.573 -0.704 . . . . 0.0 111.968 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 44.9 t -60.02 -39.29 85.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.859 -1.151 . . . . 0.0 110.745 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.88 52.14 0.83 Allowed Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -86.88 -49.29 7.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.285 -1.127 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -111.95 -32.9 6.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.854 -0.529 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.08 -166.11 27.58 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.06 29.14 3.34 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -65.55 -19.6 65.99 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.081 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.37 -12.37 35.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.71 -1.244 . . . . 0.0 110.638 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -160.07 161.21 33.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.778 -1.201 . . . . 0.0 109.681 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -78.96 162.23 26.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.652 -1.28 . . . . 0.0 108.507 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -136.53 167.1 22.01 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.853 -1.154 . . . . 0.0 110.168 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -60.11 -40.08 88.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 112.523 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.407 ' CD ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -78.22 -28.67 47.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.336 -1.478 . . . . 0.0 110.311 -177.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' B' ' 19' ' ' SER . 94.2 mt-10 -64.99 -48.89 72.36 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.327 -0.858 . . . . 0.0 111.273 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -34.53 76.29 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.334 -0.854 . . . . 0.0 111.178 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 54.9 tttm -64.8 -40.1 94.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.998 -1.063 . . . . 0.0 110.264 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 89.9 m-20 -61.27 -39.91 92.14 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.199 -0.938 . . . . 0.0 109.715 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.424 ' O ' ' CG2' ' B' ' 39' ' ' THR . 83.5 mt -60.7 -39.99 90.59 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -79.73 -35.74 38.4 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 119.989 -1.694 . . . . 0.0 111.028 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -69.54 -0.66 7.01 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 111.867 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -101.66 -50.94 3.57 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.995 -1.066 . . . . 0.0 111.545 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' OG1' ' B' ' 39' ' ' THR . 43.2 mm-40 -111.88 -31.54 6.9 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.889 -1.132 . . . . 0.0 112.089 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -110.14 28.29 8.76 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.981 -1.075 . . . . 0.0 110.862 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.9 m -61.32 -41.82 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.01 -1.056 . . . . 0.0 110.089 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -69.91 -39.61 76.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.314 -0.866 . . . . 0.0 111.981 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.03 -67.6 0.74 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.693 -1.255 . . . . 0.0 109.674 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.91 97.16 7.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.59 106.12 0.73 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.627 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.44 -19.13 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.609 -0.682 . . . . 0.0 109.575 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 -67.99 0.71 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.983 -1.073 . . . . 0.0 112.812 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.02 -45.35 83.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 111.149 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -97.45 77.44 2.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.441 -1.412 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.83 -20.13 21.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.21 -22.13 58.18 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.01 -37.26 87.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 p -77.8 -24.68 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.96 -40.13 75.6 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.753 -1.217 . . . . 0.0 107.765 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.94 -39.45 76.09 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -32.14 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.712 -0.617 . . . . 0.0 109.386 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.51 -25.37 31.12 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 122.388 1.09 . . . . 0.0 108.138 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -60.09 -40.13 88.54 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.46 -36.4 78.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.6 mp -77.73 -65.29 0.98 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.514 0.674 . . . . 0.0 109.848 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 64' ' ' ASN . 96.7 m-20 -80.81 42.94 0.65 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.1 -13.63 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' B' ' 62' ' ' ASP . 49.7 t30 -88.93 -6.16 57.47 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.07 33.75 69.89 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.0 p-10 -87.91 -5.86 58.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.037 -1.273 . . . . 0.0 110.593 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.67 -2.38 1.88 Allowed Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.4 mt-10 -130.01 144.71 51.48 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.563 -0.963 . . . . 0.0 108.545 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.1 t -113.48 149.16 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 121.877 0.846 . . . . 0.0 111.733 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.638 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 44.3 t0 -85.61 23.28 1.41 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 29.2 p90 54.39 -47.36 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.629 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 19.5 pt20 -60.09 -37.65 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.125 -1.609 . . . . 0.0 108.83 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -59.99 -40.05 87.84 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 108.919 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -64.38 -49.53 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.62 -40.0 77.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 120.747 -1.22 . . . . 0.0 111.393 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 m -67.68 -35.38 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.731 -1.23 . . . . 0.0 111.191 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 tp -63.33 -58.12 8.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.972 -1.08 . . . . 0.0 111.424 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -22.56 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.65 -0.656 . . . . 0.0 110.667 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.14 -50.21 56.12 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.84 74.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.252 -0.905 . . . . 0.0 112.191 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.53 -47.1 73.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.721 -1.237 . . . . 0.0 110.993 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -65.64 -42.03 91.91 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.928 -1.108 . . . . 0.0 111.032 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.29 -42.32 90.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.476 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.06 92.97 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.551 -0.718 . . . . 0.0 110.082 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.3 m -61.01 -42.64 98.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.0 110.629 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.31 -40.04 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.885 -1.134 . . . . 0.0 109.585 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.82 -38.8 86.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.643 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.86 -41.11 90.77 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.332 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -70.13 -37.15 75.23 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 120.944 -1.098 . . . . 0.0 108.88 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -86.47 0.55 53.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.757 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -40.49 89.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.028 -1.045 . . . . 0.0 108.735 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -85.08 -6.49 59.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.4 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.446 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.817 0 N-CA-C 119.386 2.515 . . . . 0.0 119.386 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' THR . 52.8 m -101.71 21.72 14.01 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.299 -1.118 . . . . 0.0 109.273 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.12 -49.76 76.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.336 -0.853 . . . . 0.0 109.213 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.71 -39.92 63.98 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -39.94 95.85 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 2' ' ' SER . 22.4 m -64.0 -21.19 66.39 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.1 78.97 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.059 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.502 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 57.5 ttp -75.45 -40.0 58.11 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 110.928 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.01 66.04 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.383 -0.823 . . . . 0.0 111.294 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -78.53 -46.14 20.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.113 -0.992 . . . . 0.0 111.802 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.64 -27.04 64.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.167 -1.583 . . . . 0.0 109.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.85 -36.48 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.003 -1.061 . . . . 0.0 109.998 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -71.15 -41.49 70.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.974 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.41 -33.08 58.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 36.5 t80 -60.85 -40.07 91.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 40.6 t-80 -86.77 -7.4 58.29 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -30.88 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.935 -1.103 . . . . 0.0 110.706 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.09 -32.3 6.83 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.077 -1.015 . . . . 0.0 110.803 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.118 -0.989 . . . . 0.0 111.304 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.23 -5.21 90.22 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.965 -1.084 . . . . 0.0 110.636 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -26.41 44.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.949 -1.324 . . . . 0.0 108.694 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 66.7 mm-40 -89.3 -2.83 58.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 90.29 -32.82 4.77 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.9 m-20 -71.08 59.55 0.24 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' GLY . 4.2 ttpm? -78.05 -16.91 57.64 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 -177.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.48 -14.21 41.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.808 -1.183 . . . . 0.0 109.269 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' ASP . 2.7 ttmp? -153.88 155.1 35.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -84.86 169.95 13.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.89 -1.131 . . . . 0.0 108.542 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.517 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.7 t -137.81 166.52 23.79 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.988 -1.07 . . . . 0.0 110.425 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 87.1 tttt -59.88 -39.9 86.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.644 -0.66 . . . . 0.0 111.036 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HZ1' ' CD ' ' A' ' 22' ' ' GLU . 13.6 tmtt? -75.98 -34.54 59.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.814 -1.179 . . . . 0.0 110.412 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 29' ' ' SER . 58.6 mt-10 -61.84 -49.95 74.23 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 111.392 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.3 -32.25 72.25 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.554 -0.717 . . . . 0.0 109.855 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 51.4 tttm -62.22 -39.92 94.39 Favored 'General case' 0 C--O 1.192 -1.926 0 O-C-N 121.018 -1.051 . . . . 0.0 109.787 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.41 96.5 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.65 -1.281 . . . . 0.0 110.137 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.9 -40.1 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.406 -0.809 . . . . 0.0 110.702 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.9 mt -73.82 -41.14 62.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.027 -1.046 . . . . 0.0 110.793 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.9 mt-30 -69.96 -25.23 63.53 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 p -82.49 -55.3 4.57 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.209 -0.932 . . . . 0.0 112.223 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.5 mt-10 -111.31 -29.82 7.67 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.888 -1.132 . . . . 0.0 113.233 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.03 23.28 14.55 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 120.81 -1.181 . . . . 0.0 110.586 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 37' ' ' LEU . 21.7 p -60.13 -40.24 89.09 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 m -62.23 -45.9 91.25 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.022 -1.049 . . . . 0.0 111.255 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -76.53 -68.79 0.56 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.004 -1.06 . . . . 0.0 110.341 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.7 mp -81.74 94.06 6.93 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 35.7 p-10 -59.64 83.06 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.113 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -95.34 -14.73 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.539 -0.726 . . . . 0.0 109.911 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.0 -67.49 0.76 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.021 -1.049 . . . . 0.0 112.529 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.78 -47.84 84.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 110.501 -176.396 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' ALA . 82.6 m-20 -94.34 78.69 3.92 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.115 -1.616 . . . . 0.0 109.29 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.49 42.4 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.04 -20.68 63.23 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -31.54 72.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.64 -31.34 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.683 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.3 m-20 -66.42 -40.01 89.31 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.917 -1.114 . . . . 0.0 108.985 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.513 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -41.01 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.5 ptm -82.47 -31.93 29.14 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 111.069 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.04 -39.94 91.72 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 122.571 1.177 . . . . 0.0 108.774 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.76 -40.12 94.02 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.24 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -106.39 -24.44 12.24 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.092 -1.005 . . . . 0.0 111.155 -178.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 6.9 t0 -82.81 50.53 1.71 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.442 -1.411 . . . . 0.0 108.039 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -60.24 -10.59 4.76 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 62' ' ' ASP . 76.2 m-20 -74.35 -11.56 60.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.97 24.12 33.58 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 68' ' ' GLU . 22.9 p-10 -91.18 -0.13 57.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.689 -0.889 . . . . 0.0 110.533 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.51 9.94 5.35 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.2 mt-10 -132.18 139.88 48.53 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' A' ' 71' ' ' PHE . 43.3 t -109.4 137.46 41.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-O 121.385 0.612 . . . . 0.0 110.362 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 72' ' ' GLN . 37.5 t0 -72.84 17.73 0.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 36.5 t80 61.65 -50.75 0.13 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 122.075 -0.391 . . . . 0.0 111.131 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 tm0? -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.476 -1.39 . . . . 0.0 108.427 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.106 -0.996 . . . . 0.0 108.635 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.02 -44.88 94.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.681 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -39.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.782 -1.199 . . . . 0.0 111.342 -177.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.4 m -72.29 -37.45 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.3 -1.5 . . . . 0.0 111.63 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -56.53 14.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.83 -1.169 . . . . 0.0 111.179 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.1 m -74.86 -21.92 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.845 -0.535 . . . . 0.0 111.588 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -46.5 69.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.728 -1.232 . . . . 0.0 109.393 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.78 75.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.355 -0.841 . . . . 0.0 110.944 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.2 -47.74 75.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.891 -1.13 . . . . 0.0 111.981 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.519 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 12.1 t -74.14 -41.78 61.0 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.95 -1.094 . . . . 0.0 111.635 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.407 ' N ' ' CG2' ' A' ' 82' ' ' THR . 49.5 t -60.67 -44.91 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.099 -1.001 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.383 -0.823 . . . . 0.0 109.784 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.94 -40.03 87.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.321 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.012 -1.055 . . . . 0.0 109.829 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.315 -0.865 . . . . 0.0 110.591 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -91.14 -18.99 23.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.041 -1.037 . . . . 0.0 109.965 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -87.73 -20.79 25.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.054 -1.028 . . . . 0.0 110.437 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.49 -39.43 87.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.895 -1.128 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 93' ' ' SER . 27.4 t-20 -59.96 -39.88 87.11 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.219 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.833 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 6' ' ' THR . 51.5 m -101.9 21.83 14.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.196 -1.179 . . . . 0.0 109.417 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.02 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.857 . . . . 0.0 109.227 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.65 -40.01 64.05 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.85 -39.94 95.93 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 2' ' ' SER . 21.1 m -63.91 -21.05 66.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.75 78.84 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 122.013 0.911 . . . . 0.0 109.049 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.519 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 56.0 ttp -75.19 -39.85 59.84 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.127 -0.983 . . . . 0.0 110.891 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -29.84 65.83 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.399 -0.813 . . . . 0.0 111.181 -177.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -78.51 -46.46 19.52 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 121.063 -1.023 . . . . 0.0 111.805 -177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.37 -27.06 65.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.342 -1.474 . . . . 0.0 108.942 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.36 -35.47 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 110.211 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -72.09 -41.26 67.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.3 -33.15 58.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.7 t80 -60.76 -40.05 91.02 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 16' ' ' HIS . 40.1 t-80 -87.16 -6.82 58.49 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.37 23.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.809 -1.182 . . . . 0.0 110.756 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.27 -32.24 6.81 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.049 -1.032 . . . . 0.0 110.749 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -63.2 -39.92 96.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.154 -0.966 . . . . 0.0 111.264 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -4.57 90.27 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.936 -1.126 . . . . 0.0 110.691 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -78.98 -26.28 43.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.898 -1.354 . . . . 0.0 108.497 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -89.49 -2.75 58.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.56 -0.712 . . . . 0.0 110.156 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 90.53 -33.29 4.64 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.9 m-20 -70.79 59.6 0.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' GLY . 4.1 ttpm? -78.32 -16.82 57.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.56 -177.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.47 -14.44 40.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.828 -1.17 . . . . 0.0 109.254 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' B' ' 24' ' ' ASP . 2.7 ttmp? -153.71 155.08 35.29 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 tp -84.75 169.97 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.1 . . . . 0.0 108.668 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 36.4 t -137.25 167.11 22.22 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.001 -1.062 . . . . 0.0 110.475 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 87.1 tttt -60.04 -40.0 87.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.614 -0.679 . . . . 0.0 110.99 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -76.57 -34.1 58.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.857 -1.152 . . . . 0.0 110.536 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 29' ' ' SER . 58.9 mt-10 -62.08 -49.95 73.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 111.299 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.5 -31.94 71.57 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.353 -0.842 . . . . 0.0 109.916 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 51.9 tttm -62.36 -39.92 94.73 Favored 'General case' 0 C--O 1.193 -1.92 0 O-C-N 121.131 -0.981 . . . . 0.0 109.783 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.01 -39.93 95.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.626 -1.297 . . . . 0.0 110.297 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.33 -40.02 94.99 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 110.685 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.3 mt -73.74 -41.15 62.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.91 -1.119 . . . . 0.0 110.85 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.518 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.7 mt-30 -70.05 -24.98 63.35 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 12.7 p -82.96 -54.72 4.86 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.196 -0.94 . . . . 0.0 112.262 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.8 mt-10 -111.52 -29.95 7.56 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.895 -1.128 . . . . 0.0 113.208 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.02 23.2 14.66 Favored 'General case' 0 N--CA 1.516 2.875 0 O-C-N 120.806 -1.184 . . . . 0.0 110.556 -177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 37' ' ' LEU . 24.8 p -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.165 -0.959 . . . . 0.0 110.611 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 57.8 m -62.82 -45.14 93.99 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 111.265 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.02 -68.86 0.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.8 mp -81.76 94.12 6.95 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 35.7 p-10 -59.81 83.12 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.99 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -95.48 -14.52 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.556 -0.715 . . . . 0.0 109.88 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.04 -67.78 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 112.508 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.456 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.4 -47.98 83.4 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.395 -0.816 . . . . 0.0 110.502 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.6 m-20 -94.29 78.55 3.95 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.237 -1.539 . . . . 0.0 109.465 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.57 41.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.06 -20.26 63.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -66.46 -30.99 71.46 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.17 -31.21 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.664 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 97.9 m-20 -66.65 -39.87 88.43 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.973 -1.079 . . . . 0.0 108.82 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -70.21 -39.96 74.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -40.79 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.219 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.459 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.2 ptm -82.75 -31.49 28.34 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.239 -0.913 . . . . 0.0 111.105 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.12 -40.05 92.33 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 122.569 1.176 . . . . 0.0 108.745 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.73 -40.01 93.57 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.273 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -106.75 -24.23 12.16 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.154 -0.966 . . . . 0.0 111.146 -178.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.519 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 7.0 t0 -83.03 50.5 1.74 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.456 -1.402 . . . . 0.0 107.977 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.03 -10.81 4.65 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' B' ' 62' ' ' ASP . 76.2 m-20 -74.49 -11.35 60.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.13 0.491 . . . . 0.0 109.68 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.63 24.67 32.98 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 23.1 p-10 -91.23 -0.43 57.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.666 -0.902 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.15 5.61 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' B' ' 66' ' ' ASP . 43.2 mt-10 -132.4 139.96 48.28 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 71' ' ' PHE . 44.2 t -109.34 137.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 121.422 0.63 . . . . 0.0 110.463 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 72' ' ' GLN . 36.1 t0 -73.05 17.58 0.12 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 36.5 t80 61.44 -50.63 0.13 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.027 -0.421 . . . . 0.0 111.272 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' B' ' 70' ' ' ASP . 1.6 tm0? -59.99 -40.01 87.7 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.369 -1.457 . . . . 0.0 108.363 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.99 -40.38 88.98 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.121 -0.987 . . . . 0.0 108.561 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.05 -44.58 94.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.568 -0.707 . . . . 0.0 111.716 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -40.7 83.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.748 -1.22 . . . . 0.0 111.125 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 m -71.43 -37.72 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 111.784 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -56.6 13.8 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.772 -1.205 . . . . 0.0 111.181 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.73 -21.53 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.82 -0.55 . . . . 0.0 111.638 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.74 68.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.71 -1.244 . . . . 0.0 109.348 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.46 75.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.0 -48.37 74.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.884 -1.135 . . . . 0.0 111.885 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.502 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 11.6 t -73.45 -42.82 61.47 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.924 -1.11 . . . . 0.0 111.486 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' B' ' 82' ' ' THR . 46.9 t -60.11 -44.8 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.08 -1.013 . . . . 0.0 109.223 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.05 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.496 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -40.09 87.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.05 -1.031 . . . . 0.0 110.227 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.67 -40.16 92.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.037 -1.039 . . . . 0.0 109.951 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.24 -39.98 94.62 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.326 -0.859 . . . . 0.0 110.668 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -91.22 -19.0 23.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -87.66 -20.76 25.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 110.498 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.55 -39.33 87.54 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.848 -1.158 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' B' ' 93' ' ' SER . 27.4 t-20 -60.01 -39.79 87.04 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.182 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.757 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -101.04 14.59 31.48 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.279 -1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.01 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 0.0 109.476 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.3 tt -70.64 -37.32 73.73 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.22 -40.07 92.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.684 0.754 . . . . 0.0 109.046 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 m -65.37 -20.96 66.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.07 -40.04 71.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.259 -0.9 . . . . 0.0 109.022 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 ttt -71.02 -39.98 72.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.391 -0.818 . . . . 0.0 110.595 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.9 pt-20 -70.41 -34.47 72.55 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 -177.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.4 t -79.06 -52.82 7.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.194 -0.941 . . . . 0.0 112.819 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.29 -26.67 67.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 119.988 -1.695 . . . . 0.0 108.715 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.51 -33.6 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.708 -1.245 . . . . 0.0 109.865 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 88.8 m-20 -70.01 -44.32 69.58 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.331 -0.856 . . . . 0.0 110.891 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.97 -33.74 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' OG ' ' A' ' 19' ' ' SER . 41.6 t80 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.128 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -88.01 -10.38 50.52 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.57 -40.01 61.91 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.425 -0.797 . . . . 0.0 109.322 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -101.2 -34.67 9.58 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.474 -0.767 . . . . 0.0 111.031 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 65.2 m -59.88 -40.01 87.23 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.638 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.17 4.07 84.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -88.69 -20.97 24.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.512 -0.993 . . . . 0.0 109.615 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.95 -1.23 37.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.324 -0.86 . . . . 0.0 110.929 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.95 -13.64 64.06 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 27' ' ' LYS . 97.2 m-20 -85.14 37.3 0.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' GLY . 7.1 ttmm -51.41 -20.04 1.62 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.505 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -94.36 -14.51 25.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.658 -1.276 . . . . 0.0 110.641 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 24' ' ' ASP . 13.1 ttmt -149.92 151.81 34.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.003 -1.06 . . . . 0.0 109.136 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -79.72 163.1 24.77 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 28.7 t -135.16 164.46 27.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.893 -1.129 . . . . 0.0 110.431 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -58.87 -40.02 83.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.545 -0.722 . . . . 0.0 111.358 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -74.75 -29.91 61.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.641 -1.287 . . . . 0.0 110.377 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 81.4 mt-10 -65.9 -50.67 63.63 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.144 -0.972 . . . . 0.0 111.312 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.36 71.5 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.05 -1.032 . . . . 0.0 109.709 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 33.5 tptt -59.99 -40.14 88.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.338 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.476 ' O ' ' CG2' ' A' ' 39' ' ' THR . 98.5 m-20 -70.97 -40.08 72.16 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.38 -0.825 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.0 mt -62.16 -41.35 98.22 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.021 -1.049 . . . . 0.0 111.854 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.7 -41.68 26.28 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.785 -1.197 . . . . 0.0 111.215 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' C ' HE21 ' A' ' 38' ' ' GLN . 0.1 OUTLIER -72.82 -10.06 59.37 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.436 -0.79 . . . . 0.0 109.113 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 1.1 p -81.83 -60.72 2.14 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.672 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.9 mt-10 -111.31 -29.84 7.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.269 -0.894 . . . . 0.0 111.641 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.76 26.25 10.25 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 120.884 -1.135 . . . . 0.0 110.313 -177.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -59.97 -45.97 90.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.059 -1.025 . . . . 0.0 111.318 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.9 t -69.97 -39.82 75.74 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 111.916 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.82 -66.72 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.637 -1.289 . . . . 0.0 110.172 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -81.31 97.78 7.84 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 93.2 m-20 -56.61 140.21 47.51 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.507 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 2.9 p -169.43 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 120.92 -1.113 . . . . 0.0 110.259 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' H ' ' CG1' ' A' ' 47' ' ' VAL . 6.6 pt20 -60.54 -46.11 91.4 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.317 -0.865 . . . . 0.0 110.705 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 46.9 pttt -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.965 -1.084 . . . . 0.0 109.72 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -104.1 82.26 1.94 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.188 -0.945 . . . . 0.0 108.935 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.994 -1.066 . . . . 0.0 108.176 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -60.02 -35.71 75.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.06 69.53 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.458 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -28.77 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.009 -1.057 . . . . 0.0 109.486 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.67 -40.01 80.35 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.819 -1.176 . . . . 0.0 108.847 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -70.15 -40.04 75.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 122.009 0.909 . . . . 0.0 109.41 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -37.37 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.3 mmm -73.8 -31.45 63.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 0.0 109.598 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.54 -40.07 81.98 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.758 -0.589 . . . . 0.0 109.938 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.98 -25.19 63.5 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 108.855 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.4 mp -89.98 -77.59 0.39 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.765 0.793 . . . . 0.0 110.871 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 83.0 m-20 -73.02 38.43 0.09 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.348 0.594 . . . . 0.0 110.304 -177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.2 pt-20 -62.32 -13.94 34.12 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -81.29 2.21 29.12 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.775 -0.578 . . . . 0.0 111.273 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.31 43.05 13.64 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.634 ' C ' ' H ' ' A' ' 68' ' ' GLU . 18.2 p-10 -140.88 96.25 2.98 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.28 25.12 0.01 OUTLIER Glycine 0 N--CA 1.506 3.315 0 O-C-N 121.925 -0.484 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.634 ' H ' ' C ' ' A' ' 66' ' ' ASP . 44.1 mp0 -129.76 133.78 47.21 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' C ' ' H ' ' A' ' 71' ' ' PHE . 8.3 t -100.98 144.33 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.498 -0.751 . . . . 0.0 111.097 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.606 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 96.0 m-20 -74.68 21.35 0.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 14.3 p90 56.36 -39.22 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.079 0.552 . . . . 0.0 112.229 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' ASP . 14.3 pt20 -69.94 -34.19 73.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.285 -1.509 . . . . 0.0 108.456 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -60.94 -40.05 91.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.13 -0.982 . . . . 0.0 108.609 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -69.17 -40.33 78.21 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -60.09 -39.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 O-C-N 120.238 -1.539 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.87 -38.73 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.855 -1.153 . . . . 0.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.92 -56.91 15.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.175 -0.953 . . . . 0.0 112.624 -177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.07 -21.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 O-C-N 121.734 -0.603 . . . . 0.0 111.372 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.62 67.54 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 109.68 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.17 53.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.0 111.694 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.98 -40.01 90.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.046 . . . . 0.0 110.461 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 94.6 m -63.4 -43.01 98.75 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 122.124 0.964 . . . . 0.0 109.75 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.61 -40.01 85.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.434 0.635 . . . . 0.0 110.125 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.89 96.49 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.454 -0.779 . . . . 0.0 111.38 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 82' ' ' THR . 15.2 p -62.16 -39.92 94.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.804 -1.185 . . . . 0.0 110.586 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 40.6 t30 -60.24 -40.47 90.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.032 -1.042 . . . . 0.0 110.378 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.43 -28.63 65.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.064 -1.023 . . . . 0.0 109.706 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.94 -44.45 94.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.32 -15.7 56.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -66.08 -32.98 74.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.399 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.92 -39.81 86.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 109.303 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.23 -24.16 65.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.869 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.707 179.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -100.96 15.13 29.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -1.07 . . . . 0.0 109.643 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -60.09 -49.91 75.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -0.919 . . . . 0.0 109.401 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.543 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 2.5 tt -70.78 -37.29 73.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.43 -39.89 92.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.511 -0.743 . . . . 0.0 109.119 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.7 m -65.3 -20.94 66.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.0 71.69 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 108.975 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.7 -40.06 73.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 110.475 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.2 pt-20 -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.506 -0.747 . . . . 0.0 111.541 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -78.91 -52.66 7.98 Favored 'General case' 0 C--O 1.202 -1.424 0 O-C-N 121.196 -0.94 . . . . 0.0 112.8 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.37 -26.8 68.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.917 -1.739 . . . . 0.0 108.625 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.41 -33.49 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.699 -1.251 . . . . 0.0 109.843 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 90.0 m-20 -70.28 -44.02 69.26 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.168 -0.957 . . . . 0.0 111.002 -178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.93 -33.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' OG ' ' B' ' 19' ' ' SER . 41.7 t80 -60.09 -39.95 87.88 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.182 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -88.03 -10.45 50.25 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.07 61.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.508 -0.745 . . . . 0.0 109.266 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -101.09 -34.51 9.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.382 -0.824 . . . . 0.0 111.156 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 67.8 m -60.12 -40.01 88.21 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.328 -0.857 . . . . 0.0 110.552 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.23 84.52 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -88.77 -21.16 23.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -1.013 . . . . 0.0 109.635 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.89 -1.16 38.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.286 -0.884 . . . . 0.0 110.937 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 90.05 -13.51 64.57 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 27' ' ' LYS . 97.3 m-20 -85.15 37.01 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' B' ' 23' ' ' GLY . 6.5 ttmm -51.16 -19.98 1.36 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.508 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -94.49 -14.67 24.9 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.712 -1.243 . . . . 0.0 110.586 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 24' ' ' ASP . 12.4 ttmt -149.84 151.48 33.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.88 -1.138 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.42 162.89 25.21 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 29.8 t -134.03 165.73 24.37 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.961 -1.087 . . . . 0.0 110.445 -178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -59.95 -40.02 87.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.6 -0.687 . . . . 0.0 111.293 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -74.83 -30.02 61.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.682 -1.261 . . . . 0.0 110.393 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 81.3 mt-10 -65.8 -50.78 63.44 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.216 -0.927 . . . . 0.0 111.313 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -30.66 71.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.675 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 35.5 tptt -59.93 -39.91 87.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 109.587 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' B' ' 39' ' ' THR . 98.4 m-20 -71.01 -39.71 72.22 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.47 -0.769 . . . . 0.0 111.047 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.2 mt -62.97 -41.18 99.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.011 -1.055 . . . . 0.0 111.71 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.66 -41.79 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.648 -1.283 . . . . 0.0 111.265 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.452 HE21 ' N ' ' B' ' 39' ' ' THR . 0.1 OUTLIER -72.62 -10.13 59.42 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-O 121.727 0.775 . . . . 0.0 109.093 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 1.1 p -81.81 -60.65 2.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.439 -0.788 . . . . 0.0 110.684 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.1 mt-10 -111.28 -30.05 7.58 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.251 -0.905 . . . . 0.0 111.558 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.4 25.74 10.73 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 120.819 -1.175 . . . . 0.0 110.271 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -60.0 -45.51 92.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 111.423 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.0 t -70.31 -39.94 74.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 111.89 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.7 -66.32 0.83 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.683 -1.26 . . . . 0.0 110.272 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -81.81 97.72 8.13 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -56.45 140.03 47.19 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' NZ ' ' B' ' 34' ' ' LYS . 3.1 p -169.32 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.961 -1.087 . . . . 0.0 110.239 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.56 -46.13 91.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.782 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -69.98 -39.95 75.64 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.873 -1.142 . . . . 0.0 109.728 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -104.06 81.91 1.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.161 -0.962 . . . . 0.0 109.143 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -28.04 67.36 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.018 -1.051 . . . . 0.0 108.173 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -35.63 75.65 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -31.54 69.73 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -28.65 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.021 -1.049 . . . . 0.0 109.565 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -68.76 -39.99 80.0 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 120.94 -1.1 . . . . 0.0 108.833 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -70.13 -40.19 74.96 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.959 0.885 . . . . 0.0 109.47 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -37.01 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mmm -73.86 -31.44 63.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.852 . . . . 0.0 109.503 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -58.64 -40.17 82.66 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.745 -0.597 . . . . 0.0 109.961 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.04 -25.08 63.39 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.275 -0.891 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' B' ' 63' ' ' GLU . 5.2 mp -89.99 -77.55 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.793 0.806 . . . . 0.0 110.797 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 84.7 m-20 -72.99 38.29 0.08 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.391 0.615 . . . . 0.0 110.304 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' B' ' 61' ' ' LEU . 20.1 pt-20 -62.35 -13.55 30.21 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -81.55 2.07 30.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.915 -0.49 . . . . 0.0 111.216 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.43 43.03 13.25 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.638 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.3 p-10 -140.8 96.41 3.01 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.52 25.29 0.01 OUTLIER Glycine 0 N--CA 1.504 3.231 0 O-C-N 121.844 -0.535 . . . . 0.0 112.146 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.7 mp0 -130.04 133.64 46.86 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.572 ' C ' ' H ' ' B' ' 71' ' ' PHE . 7.7 t -100.8 144.42 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.476 -0.765 . . . . 0.0 111.094 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.608 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 95.4 m-20 -74.76 21.38 0.11 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 14.3 p90 56.21 -39.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.059 0.544 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 70' ' ' ASP . 14.3 pt20 -69.92 -34.27 73.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.287 -1.508 . . . . 0.0 108.56 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.82 -40.01 91.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.198 -0.939 . . . . 0.0 108.494 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -69.56 -40.03 77.04 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.98 -40.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.195 -1.565 . . . . 0.0 109.583 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -38.86 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.038 -1.039 . . . . 0.0 110.229 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.05 -56.78 17.4 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.33 -0.856 . . . . 0.0 112.677 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.19 -21.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.686 -0.634 . . . . 0.0 111.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.66 67.56 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.9 -45.2 52.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 111.743 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.67 -40.02 91.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.036 -1.04 . . . . 0.0 110.457 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.484 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 94.8 m -63.49 -43.06 98.36 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 122.074 0.94 . . . . 0.0 109.749 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.44 -40.0 84.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-O 121.462 0.648 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.49 95.88 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 111.512 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 15.5 p -62.22 -40.14 95.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.869 -1.145 . . . . 0.0 110.475 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.497 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 t30 -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.964 -1.085 . . . . 0.0 110.446 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -70.38 -28.58 65.21 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.045 -1.034 . . . . 0.0 109.742 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -44.21 94.79 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.158 -0.963 . . . . 0.0 110.03 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -80.69 -15.48 56.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.53 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -66.19 -32.83 74.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.449 -0.782 . . . . 0.0 109.378 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.09 -39.91 87.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.14 -24.17 65.87 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.151 -0.968 . . . . 0.0 109.832 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.695 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.387 2.515 . . . . 0.0 119.387 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.6 p -106.28 21.23 17.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.43 -1.041 . . . . 0.0 109.405 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.14 -48.15 82.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.151 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -73.1 -38.64 66.3 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.099 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.3 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.6 m -64.23 -22.98 67.14 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.01 89.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.116 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mtm -79.46 -32.89 42.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.732 -1.23 . . . . 0.0 110.964 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.81 -33.92 71.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.2 -0.937 . . . . 0.0 110.466 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 t -76.88 -43.89 34.14 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.419 -0.801 . . . . 0.0 111.762 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.32 -27.74 61.69 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.189 -1.569 . . . . 0.0 109.588 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.07 -37.95 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.807 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -70.01 -39.94 75.55 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.955 0.883 . . . . 0.0 109.86 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.31 -29.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -63.47 -40.02 95.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CD2' ' NZ ' ' A' ' 25' ' ' LYS . 56.7 t-80 -81.26 -12.92 58.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . -76.3 -38.08 56.57 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.115 -0.991 . . . . 0.0 109.892 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' C ' ' H ' ' A' ' 20' ' ' GLY . 73.2 m80 -119.91 5.54 10.91 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.413 -0.805 . . . . 0.0 111.116 -178.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -54.19 -8.52 0.2 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.032 -1.043 . . . . 0.0 109.45 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' A' ' 18' ' ' HIS . . . 117.81 38.36 0.83 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 17' ' ' ALA . 4.6 pttm -57.36 -18.22 16.33 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 12.4 pt-20 -90.49 0.15 57.43 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.556 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' GLY . . . 154.37 162.12 10.94 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.7 t0 49.96 39.41 18.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.972 -1.31 . . . . 0.0 107.92 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 51.9 tptt -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.505 0.669 . . . . 0.0 109.639 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -81.59 -10.05 59.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.269 -0.895 . . . . 0.0 108.906 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -156.87 158.22 36.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.872 . . . . 0.0 109.08 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.64 162.66 26.08 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.0 t -136.83 165.44 25.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.846 -1.159 . . . . 0.0 110.464 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.01 -39.67 86.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.678 -0.639 . . . . 0.0 111.489 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.52 50.95 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.461 -1.399 . . . . 0.0 110.113 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 29' ' ' SER . 79.5 mt-10 -62.77 -48.39 79.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 110.439 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.39 -34.14 67.69 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.346 -0.846 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.11 -37.11 79.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.122 . . . . 0.0 108.567 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' A' ' 39' ' ' THR . 29.8 t0 -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.763 0.792 . . . . 0.0 109.773 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.19 -39.97 93.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.347 -0.846 . . . . 0.0 111.628 -178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -74.55 -43.75 54.27 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.877 -1.139 . . . . 0.0 111.231 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -70.03 -20.6 63.25 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.382 -0.824 . . . . 0.0 109.465 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 3.5 p -80.34 -57.96 3.36 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.222 -0.924 . . . . 0.0 111.823 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 5.5 mt-10 -112.22 -29.48 7.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.393 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -110.04 25.73 11.46 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 120.958 -1.089 . . . . 0.0 110.431 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LEU . 10.2 p -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.992 -1.067 . . . . 0.0 111.33 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -68.15 -40.04 82.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 111.826 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.65 -68.86 0.61 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.799 -1.188 . . . . 0.0 109.826 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.57 97.65 7.28 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' CE ' ' A' ' 49' ' ' LYS . 78.1 m-20 -59.39 134.29 56.87 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.44 -38.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.011 -1.056 . . . . 0.0 109.976 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.84 -59.59 3.4 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.81 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' CG ' ' A' ' 46' ' ' ASP . 33.1 pttt -64.75 -43.27 93.85 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.2 m-20 -98.49 72.69 2.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.393 -1.442 . . . . 0.0 109.234 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.64 -19.74 2.57 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.797 -1.189 . . . . 0.0 108.004 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 50' ' ' ASP . 11.1 p-10 -73.64 -26.38 60.74 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.55 -36.35 82.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.815 -0.553 . . . . 0.0 109.658 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.28 -25.72 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.05 -40.0 75.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.648 -1.282 . . . . 0.0 108.412 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -70.07 -38.23 75.68 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.055 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.93 66.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.5 mmm -70.94 -32.83 69.83 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.072 0.939 . . . . 0.0 108.779 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -60.03 -45.89 91.29 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.581 0.705 . . . . 0.0 109.627 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.96 -39.25 69.51 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.988 0.899 . . . . 0.0 108.987 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.29 -79.74 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.564 0.697 . . . . 0.0 109.321 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 62.4 t0 -77.63 60.77 2.23 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.33 -13.73 1.52 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.5 t30 -79.24 -15.96 57.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.3 27.34 73.75 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 2.6 p30 -87.1 -5.33 59.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.147 -1.208 . . . . 0.0 109.91 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 75.85 0.49 64.47 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.564 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 40.6 mt-10 -127.87 145.46 50.94 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.369 -1.077 . . . . 0.0 108.721 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 t -113.81 149.88 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.745 0.783 . . . . 0.0 110.397 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -93.58 19.99 7.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.357 -0.839 . . . . 0.0 109.179 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 57.1 t80 66.75 -44.68 0.44 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 122.202 -0.311 . . . . 0.0 111.213 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.79 -38.6 91.72 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.365 -1.459 . . . . 0.0 109.212 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.93 -39.95 87.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.768 -1.208 . . . . 0.0 109.02 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 34.6 t80 -67.85 -40.12 83.73 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 p -69.67 -40.07 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.669 -1.269 . . . . 0.0 112.526 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.06 -40.11 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.341 -1.475 . . . . 0.0 111.277 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -65.35 -56.0 15.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 111.628 -176.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.52 -22.11 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.263 -0.898 . . . . 0.0 111.057 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.4 71.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.027 -1.045 . . . . 0.0 109.0 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.1 91.89 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.56 -0.713 . . . . 0.0 111.591 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.46 -50.04 75.16 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.652 -1.28 . . . . 0.0 111.305 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.0 m -64.15 -40.02 95.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.011 -1.055 . . . . 0.0 111.056 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.93 -44.03 93.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.288 -0.883 . . . . 0.0 109.721 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.6 82.81 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.075 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.3 m -59.92 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -59.94 -40.08 87.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.838 -1.164 . . . . 0.0 109.187 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.86 -20.96 61.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.147 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 109.307 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -68.74 -28.27 66.66 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -75.99 -11.89 60.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.455 -0.778 . . . . 0.0 110.092 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -38.2 82.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.005 . . . . 0.0 109.448 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.98 -39.97 87.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.302 -1.477 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.473 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.541 2.576 . . . . 0.0 119.541 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.452 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.1 p -106.16 21.21 17.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -1.127 . . . . 0.0 109.454 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.92 -48.36 82.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -73.01 -38.4 66.61 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.59 -40.04 94.81 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.452 ' N ' ' O ' ' B' ' 2' ' ' SER . 20.7 m -64.16 -23.05 67.18 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.79 89.49 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.531 -0.73 . . . . 0.0 110.16 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtm -79.45 -33.12 42.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.405 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.4 pt-20 -70.61 -33.82 71.45 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 110.48 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.9 t -76.98 -43.96 32.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.495 -0.753 . . . . 0.0 111.786 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.43 -27.48 61.46 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.236 -1.54 . . . . 0.0 109.447 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.41 -37.74 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.044 -1.035 . . . . 0.0 109.964 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.1 m-20 -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.0 0.905 . . . . 0.0 109.936 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.22 -28.84 26.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 24.5 t80 -63.91 -40.04 95.58 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.681 ' CG ' ' HZ2' ' B' ' 25' ' ' LYS . 56.1 t-80 -81.21 -13.08 58.93 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.488 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . . . -76.63 -37.57 56.12 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.043 -1.036 . . . . 0.0 109.918 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 20' ' ' GLY . 73.4 m80 -119.68 5.32 11.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -54.03 -8.91 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.097 -1.002 . . . . 0.0 109.393 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 18' ' ' HIS . . . 117.96 38.95 0.78 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' B' ' 17' ' ' ALA . 4.2 pttm -57.95 -17.96 20.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' B' ' 20' ' ' GLY . 12.4 pt-20 -90.68 -0.06 57.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.453 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' B' ' 20' ' ' GLY . . . 154.78 162.14 11.01 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.0 t0 49.98 39.42 18.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.964 -1.315 . . . . 0.0 107.792 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.681 ' HZ2' ' CG ' ' B' ' 16' ' ' HIS . 51.4 tptt -79.67 -10.03 59.73 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.593 0.711 . . . . 0.0 109.623 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -81.63 -10.09 59.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 108.986 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -156.92 158.08 36.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.395 -0.815 . . . . 0.0 108.982 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -78.37 162.63 26.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 16.8 t -136.38 165.85 24.83 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.837 -1.164 . . . . 0.0 110.537 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.438 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 77.1 tttt -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.716 -0.615 . . . . 0.0 111.693 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -30.69 49.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.542 -1.349 . . . . 0.0 110.081 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 29' ' ' SER . 79.3 mt-10 -62.62 -48.38 79.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.456 -0.777 . . . . 0.0 110.488 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.37 -34.17 67.76 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.465 -0.772 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.11 -37.06 78.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 108.617 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.446 ' O ' ' OG1' ' B' ' 39' ' ' THR . 29.1 t0 -64.43 -39.55 94.05 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.692 0.758 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.51 -40.03 92.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' B' ' 42' ' ' SER . 33.4 mt -74.62 -43.8 53.71 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.851 -1.156 . . . . 0.0 111.277 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.77 -20.9 63.47 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.329 -0.857 . . . . 0.0 109.434 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 3.3 p -79.96 -58.03 3.36 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.219 -0.926 . . . . 0.0 111.95 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.6 mt-10 -112.32 -29.48 7.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.069 -1.02 . . . . 0.0 112.373 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.95 25.46 11.76 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 121.005 -1.06 . . . . 0.0 110.489 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 37' ' ' LEU . 10.0 p -60.02 -40.07 88.02 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.981 . . . . 0.0 111.402 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -67.99 -39.98 83.14 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.969 -1.082 . . . . 0.0 111.844 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -78.65 -68.55 0.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.806 -1.183 . . . . 0.0 109.87 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.1 97.7 7.67 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' CE ' ' B' ' 49' ' ' LYS . 77.6 m-20 -59.45 134.11 56.71 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 118.502 -1.279 . . . . 0.0 107.582 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.3 -38.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.97 -1.081 . . . . 0.0 109.946 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.89 -59.22 3.71 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.865 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.406 ' CE ' ' CG ' ' B' ' 46' ' ' ASP . 33.9 pttt -65.33 -42.78 92.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.662 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.5 m-20 -98.78 72.68 1.98 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.544 -1.348 . . . . 0.0 109.329 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.92 -19.5 2.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.755 -1.216 . . . . 0.0 107.887 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.577 ' C ' ' HZ2' ' B' ' 56' ' ' LYS . 11.0 p-10 -73.62 -26.83 60.97 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.34 -38.73 87.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.699 -0.626 . . . . 0.0 109.34 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.56 -25.51 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.371 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.438 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.2 m-20 -70.38 -39.88 74.28 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.614 -1.304 . . . . 0.0 108.417 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.577 ' HZ2' ' C ' ' B' ' 52' ' ' ASP . 33.5 mtmm -70.0 -38.32 75.92 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.886 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.82 65.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mmm -70.72 -32.91 70.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.127 0.965 . . . . 0.0 108.8 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -60.01 -45.75 91.73 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.672 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.11 -39.32 68.97 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.928 0.87 . . . . 0.0 108.957 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.02 -79.81 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.619 0.723 . . . . 0.0 109.384 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 63.3 t0 -77.7 60.91 2.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.42 -13.71 1.59 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' B' ' 62' ' ' ASP . 59.9 t30 -79.22 -15.83 57.44 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.2 27.2 73.98 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 2.6 p30 -87.0 -5.35 59.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.047 -1.266 . . . . 0.0 109.998 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.68 1.08 65.32 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 40.4 mt-10 -128.12 145.72 50.92 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.405 -1.056 . . . . 0.0 108.643 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -114.1 149.99 16.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-O 121.574 0.702 . . . . 0.0 110.456 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -93.83 20.05 8.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 56.3 t80 66.72 -44.88 0.44 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 122.237 -0.289 . . . . 0.0 111.188 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.58 -38.71 92.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.387 -1.446 . . . . 0.0 109.2 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.781 -1.199 . . . . 0.0 108.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 33.9 t80 -67.64 -39.92 84.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -177.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.54 -40.98 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.585 -1.322 . . . . 0.0 112.375 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -69.45 -40.0 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.683 -1.261 . . . . 0.0 111.227 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -65.58 -56.11 14.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.171 -0.956 . . . . 0.0 111.794 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.49 -22.18 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.26 -0.9 . . . . 0.0 111.031 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -50.6 70.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 108.957 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.0 91.81 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.466 -0.772 . . . . 0.0 111.626 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.27 -50.02 75.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.632 -1.292 . . . . 0.0 111.389 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.0 m -64.16 -40.14 95.49 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 110.865 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.03 -43.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.33 -0.856 . . . . 0.0 109.707 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.33 83.01 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.644 -0.66 . . . . 0.0 109.938 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.005 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -60.04 -40.08 88.13 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.785 -1.197 . . . . 0.0 109.066 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.08 -20.89 61.59 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.188 -0.945 . . . . 0.0 109.228 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.35 -39.94 88.92 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.461 -0.774 . . . . 0.0 109.303 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -68.88 -28.06 66.36 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.21 -11.68 59.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 110.082 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -38.38 82.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.074 -1.016 . . . . 0.0 109.49 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.91 -40.0 87.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.526 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' CA ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.965 0 N-CA-C 118.678 2.231 . . . . 0.0 118.678 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 3' ' ' GLU . 28.9 t -106.52 -85.8 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.193 -1.18 . . . . 0.0 110.85 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 12.4 mm-40 -101.64 -58.01 1.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.609 0.718 . . . . 0.0 112.187 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.3 88.9 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.81 -177.386 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' OE1' ' CA ' ' A' ' 1' ' ' GLY . 59.0 tt0 -64.91 -40.03 94.43 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.671 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -62.93 -21.76 66.28 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.66 -35.33 75.07 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.654 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtt -81.54 -34.7 30.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.796 -1.19 . . . . 0.0 110.152 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.11 -28.11 65.13 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 122.495 1.141 . . . . 0.0 108.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -69.72 -58.0 4.44 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.625 -177.501 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.37 -26.98 63.03 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.117 -178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.95 -38.64 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.797 -1.189 . . . . 0.0 109.673 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -70.69 -40.01 73.15 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.878 0.847 . . . . 0.0 110.019 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -29.22 29.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 16.2 t80 -64.3 -40.05 95.16 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -87.84 -6.72 57.97 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.56 28.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.841 -1.162 . . . . 0.0 110.124 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -109.25 -30.18 8.13 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.355 -0.841 . . . . 0.0 111.083 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 96.6 p -60.93 -17.03 48.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.074 -1.016 . . . . 0.0 110.987 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.54 21.43 3.42 Favored Glycine 0 N--CA 1.502 3.043 0 O-C-N 120.947 -1.096 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -72.44 -27.37 62.28 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.155 -1.203 . . . . 0.0 108.199 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 98.9 mt-10 -108.28 -24.95 11.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.778 -0.576 . . . . 0.0 111.06 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.13 -162.52 21.89 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 49.9 37.89 14.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.011 -1.288 . . . . 0.0 108.28 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -81.17 6.01 15.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.726 -0.609 . . . . 0.0 110.317 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -71.05 -18.48 62.56 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -158.3 160.33 36.9 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.2 tp -82.15 168.69 17.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.638 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 24.9 m -137.46 166.58 23.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.873 -1.142 . . . . 0.0 110.264 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.382 -0.824 . . . . 0.0 111.936 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.52 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -74.98 -29.97 61.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.457 -1.402 . . . . 0.0 110.579 -177.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 29' ' ' SER . 47.7 mt-10 -64.7 -51.01 64.68 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.221 -0.925 . . . . 0.0 111.476 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.472 -0.767 . . . . 0.0 111.705 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HZ2' ' NE2' ' A' ' 38' ' ' GLN . 45.1 tttm -60.68 -40.07 90.8 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 109.81 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 57.6 t0 -63.14 -40.03 96.4 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.168 -0.957 . . . . 0.0 109.596 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.89 -39.71 86.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.67 . . . . 0.0 111.009 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.485 -1.385 . . . . 0.0 110.385 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.688 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 94.3 mt-30 -63.18 -38.97 93.28 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.268 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -49.77 18.72 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.384 -1.447 . . . . 0.0 113.208 -177.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 14.9 mt-10 -109.36 -28.55 8.9 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.624 -1.298 . . . . 0.0 113.153 -176.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -111.25 25.6 11.56 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.786 -1.196 . . . . 0.0 111.387 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 p -60.13 -47.31 86.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.519 -1.363 . . . . 0.0 111.407 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.5 m -62.84 -40.08 96.32 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.886 -1.134 . . . . 0.0 111.318 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -79.49 -69.98 0.54 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.679 -1.263 . . . . 0.0 110.228 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.85 96.27 8.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.97 98.0 0.05 Allowed 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.386 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.05 -18.21 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -79.88 -70.02 0.54 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 112.928 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -57.61 -47.15 82.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.892 -1.13 . . . . 0.0 110.297 -176.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ALA . 95.7 m-20 -94.71 76.63 3.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.462 -1.399 . . . . 0.0 109.075 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -23.64 41.43 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -66.06 -35.46 80.6 Favored 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -55.31 -27.44 46.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -28.06 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.029 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.66 -40.01 73.27 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.755 -1.216 . . . . 0.0 108.04 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 2.9 mptp? -67.89 -40.34 83.52 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.94 0.876 . . . . 0.0 109.937 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.37 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.2 mmm -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.623 0.725 . . . . 0.0 110.148 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -59.99 -39.92 87.4 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -64.65 -39.0 92.93 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 61' ' ' LEU . 6.6 mp -78.04 -67.66 0.71 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.527 -0.733 . . . . 0.0 109.38 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.1 m-20 -80.9 40.58 0.54 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.371 -0.831 . . . . 0.0 109.195 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.8 tt0 -51.7 -19.64 1.7 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 19.6 m120 -85.26 -3.0 58.67 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.713 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 71.14 32.05 65.98 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.561 ' C ' ' H ' ' A' ' 68' ' ' GLU . 7.3 m-20 -80.74 -18.11 48.81 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.152 -1.205 . . . . 0.0 110.177 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 -3.51 2.43 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.389 -1.884 . . . . 0.0 108.389 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.4 mt-10 -130.51 150.02 51.92 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 t -119.98 149.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.757 0.789 . . . . 0.0 111.739 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 72' ' ' GLN . 48.5 m-20 -88.99 17.78 5.46 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 78.1 t80 62.92 -37.66 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.235 -0.291 . . . . 0.0 110.47 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' A' ' 70' ' ' ASP . 98.4 mt-30 -67.43 -38.88 85.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.646 -1.284 . . . . 0.0 108.239 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.19 -40.02 88.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 109.074 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.82 -47.14 79.09 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.539 -0.725 . . . . 0.0 112.829 -178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -60.08 -39.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.815 -1.178 . . . . 0.0 111.594 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.22 -39.93 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.527 -1.358 . . . . 0.0 111.123 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.27 -57.18 9.1 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.873 -1.142 . . . . 0.0 111.645 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 m -73.54 -22.45 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.033 -1.042 . . . . 0.0 111.311 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.27 72.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.776 -1.202 . . . . 0.0 109.188 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -39.89 75.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 111.461 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.41 -51.2 69.76 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.922 -1.111 . . . . 0.0 111.072 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.481 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 12.9 t -63.02 -39.15 93.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.056 -1.027 . . . . 0.0 110.547 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.067 -1.02 . . . . 0.0 109.608 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.468 -0.77 . . . . 0.0 111.439 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.2 p -65.2 -40.04 93.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.756 -1.215 . . . . 0.0 109.435 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.517 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 t30 -60.32 -39.88 88.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.492 -0.755 . . . . 0.0 110.402 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 53.4 t-20 -67.55 -36.61 81.3 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 109.017 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.89 -40.38 88.55 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.601 -0.687 . . . . 0.0 110.635 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -84.57 9.56 13.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.426 -0.797 . . . . 0.0 109.995 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 0.4 OUTLIER -67.89 -16.12 63.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.981 -1.074 . . . . 0.0 109.698 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 90' ' ' TRP . 98.9 mt-10 -60.6 -40.1 90.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.135 -0.978 . . . . 0.0 109.368 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -60.41 -39.96 89.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.211 -0.931 . . . . 0.0 108.639 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.389 -179.564 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.467 ' CA ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.819 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' OE2' ' B' ' 3' ' ' GLU . 29.4 t -106.53 -86.02 0.49 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.163 . . . . 0.0 110.911 -178.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.406 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 12.5 mm-40 -101.49 -57.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.552 0.691 . . . . 0.0 112.161 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.526 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.51 89.62 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.562 -0.711 . . . . 0.0 109.721 -177.433 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.467 ' OE1' ' CA ' ' B' ' 1' ' ' GLY . 61.2 tt0 -64.91 -39.97 94.35 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.769 -1.172 . . . . 0.0 108.677 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . 20.8 m -62.88 -21.64 66.14 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -70.07 -35.2 74.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.603 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.6 mtt -81.6 -34.27 31.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.672 -1.268 . . . . 0.0 110.102 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.29 -28.16 64.98 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 122.481 1.134 . . . . 0.0 108.069 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -69.62 -58.39 3.99 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.739 -177.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.99 -26.58 63.2 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.015 -1.053 . . . . 0.0 111.023 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -71.67 -37.76 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.769 -1.207 . . . . 0.0 109.771 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.39 -40.04 70.79 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.908 0.861 . . . . 0.0 109.954 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -28.75 27.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 16.5 t80 -64.47 -40.03 94.93 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.2 -5.94 58.12 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.62 26.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.87 -1.143 . . . . 0.0 110.054 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.0 -30.3 8.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.233 -0.917 . . . . 0.0 111.046 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 94.0 p -60.68 -17.49 48.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.06 -1.025 . . . . 0.0 110.979 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.21 21.48 3.48 Favored Glycine 0 N--CA 1.503 3.102 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.436 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -72.3 -27.41 62.43 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.192 -1.181 . . . . 0.0 108.28 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -108.31 -24.85 11.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.79 -0.568 . . . . 0.0 111.039 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.8 -162.65 21.64 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 108.315 -1.914 . . . . 0.0 108.315 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 49.99 37.74 14.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.026 -1.279 . . . . 0.0 108.247 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -81.08 5.84 15.43 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.84 -18.91 62.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -158.08 160.07 36.97 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.16 168.73 17.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.803 -1.185 . . . . 0.0 108.548 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.546 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 31.0 m -137.27 166.65 23.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.822 -1.173 . . . . 0.0 110.273 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -59.99 -40.05 87.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.454 -0.779 . . . . 0.0 111.845 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.61 60.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.562 -1.336 . . . . 0.0 110.718 -178.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 29' ' ' SER . 47.7 mt-10 -64.95 -50.95 64.41 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.266 -0.896 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -35.04 76.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.584 -0.698 . . . . 0.0 111.704 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.6 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 45.9 tttm -60.8 -40.46 92.73 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 120.864 -1.147 . . . . 0.0 109.737 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 58.6 t0 -62.74 -40.06 96.05 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.08 -1.013 . . . . 0.0 109.681 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.529 -0.732 . . . . 0.0 111.003 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.0 -40.04 63.21 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 120.531 -1.356 . . . . 0.0 110.383 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.6 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 94.9 mt-30 -63.09 -39.3 94.31 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.293 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -49.57 20.33 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.336 -1.477 . . . . 0.0 113.264 -177.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 15.6 mt-10 -109.12 -29.01 8.75 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.581 -1.324 . . . . 0.0 113.275 -176.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.25 25.84 11.3 Favored 'General case' 0 N--CA 1.52 3.066 0 O-C-N 120.728 -1.232 . . . . 0.0 111.393 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p -59.95 -47.8 84.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.553 -1.342 . . . . 0.0 111.415 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.826 -1.171 . . . . 0.0 111.479 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -79.63 -70.04 0.54 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.843 -1.16 . . . . 0.0 110.301 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.1 96.78 8.49 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.48 98.12 0.06 Allowed 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.6 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -115.12 -17.95 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -80.08 -69.98 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.013 -1.054 . . . . 0.0 113.012 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -47.05 82.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.033 . . . . 0.0 110.341 -177.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.0 m-20 -94.74 76.16 3.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.468 -1.395 . . . . 0.0 109.109 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.98 37.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.03 -35.41 80.47 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -55.59 -26.74 45.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -27.81 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 110.263 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -70.78 -40.04 72.83 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.781 -1.199 . . . . 0.0 108.04 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 2.7 mptp? -67.88 -40.61 83.51 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 122.005 0.907 . . . . 0.0 109.842 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -39.45 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.41 -28.57 62.07 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.575 -0.703 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -59.97 -40.02 87.65 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.41 -39.86 94.66 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 6.6 mp -77.36 -67.68 0.69 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.54 -0.725 . . . . 0.0 109.574 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 93.2 m-20 -81.01 40.92 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.307 -0.871 . . . . 0.0 109.145 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -51.93 -19.44 1.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' B' ' 62' ' ' ASP . 20.0 m120 -85.45 -2.94 58.65 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.751 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.96 32.2 66.38 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.563 ' C ' ' H ' ' B' ' 68' ' ' GLU . 7.9 m-20 -80.84 -18.35 47.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -1.17 . . . . 0.0 110.134 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.22 -3.06 2.56 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.6 mt-10 -130.66 150.01 52.04 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 t -120.05 149.53 22.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-O 121.775 0.798 . . . . 0.0 111.747 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' GLN . 50.6 m-20 -88.7 17.59 5.4 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.63 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 78.3 t80 63.16 -37.71 0.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 122.168 -0.332 . . . . 0.0 110.515 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-30 -67.37 -38.94 85.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.564 -1.335 . . . . 0.0 108.196 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.24 -40.11 89.09 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.968 -1.083 . . . . 0.0 109.101 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -64.49 -47.49 78.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.39 -0.819 . . . . 0.0 112.846 -178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.99 -39.99 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 111.473 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -40.09 80.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.275 . . . . 0.0 111.306 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.75 -57.43 8.03 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.832 -1.168 . . . . 0.0 111.609 -177.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 m -72.91 -22.5 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.065 -1.022 . . . . 0.0 111.348 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.38 74.11 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.732 -1.23 . . . . 0.0 109.321 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.66 72.73 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 111.221 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.19 -51.71 67.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.943 -1.098 . . . . 0.0 111.066 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 13.5 t -62.36 -39.61 93.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.914 -1.117 . . . . 0.0 110.423 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 51.5 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.128 -0.982 . . . . 0.0 109.551 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.46 89.53 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.415 -0.803 . . . . 0.0 111.24 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 82' ' ' THR . 17.0 p -64.72 -39.98 94.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.65 -1.281 . . . . 0.0 109.483 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 t30 -60.58 -40.04 90.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.352 -0.843 . . . . 0.0 110.471 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 53.3 t-20 -67.24 -36.85 82.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.159 -0.963 . . . . 0.0 109.105 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.0 -40.12 88.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.659 . . . . 0.0 110.623 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -84.63 9.91 12.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.025 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.531 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 0.4 OUTLIER -68.36 -16.09 63.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.44 ' N ' ' CD1' ' B' ' 90' ' ' TRP . 99.5 mt-10 -60.46 -40.04 89.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.361 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.38 -39.89 88.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 0.0 108.678 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.271 -179.704 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.77 0 N-CA-C 119.706 2.643 . . . . 0.0 119.706 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.575 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.3 p -103.37 24.79 10.45 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.269 -1.136 . . . . 0.0 108.918 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.76 -48.93 79.58 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.283 -0.885 . . . . 0.0 109.501 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -73.35 -39.97 64.79 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -63.07 -22.76 67.08 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -39.73 83.11 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.369 -0.832 . . . . 0.0 109.779 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.51 -35.81 53.12 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.703 -1.248 . . . . 0.0 110.853 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.35 -32.77 70.61 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.285 -0.884 . . . . 0.0 110.834 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.7 t -76.82 -45.53 28.27 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.233 -0.917 . . . . 0.0 111.736 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.28 -27.02 63.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.311 -1.493 . . . . 0.0 109.425 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.47 -35.27 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.849 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.47 -42.84 70.88 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.992 0.901 . . . . 0.0 109.946 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.94 -32.94 53.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 64.3 t80 -60.92 -40.01 91.53 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -85.11 -11.49 55.05 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.94 57.66 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.171 -0.955 . . . . 0.0 109.781 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 58.2 t-80 -101.19 -36.48 8.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.267 -0.895 . . . . 0.0 110.907 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 m -55.65 -30.82 61.66 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.165 -0.959 . . . . 0.0 110.282 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.75 2.59 70.01 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -81.53 -26.26 35.23 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.496 -1.002 . . . . 0.0 109.749 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -96.95 -4.95 39.04 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.293 -0.879 . . . . 0.0 111.313 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 92.48 -12.38 69.87 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -87.03 37.82 0.78 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 23' ' ' GLY . 26.9 ttpt -56.12 -12.32 1.47 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.127 -178.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 64.2 t80 -88.26 -12.27 44.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.781 -1.199 . . . . 0.0 109.642 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.41 162.59 30.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.97 162.65 22.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.849 -1.157 . . . . 0.0 108.232 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 7.4 m -131.9 163.81 27.48 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.163 -0.961 . . . . 0.0 109.11 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.933 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.71 -34.68 62.63 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.717 -1.24 . . . . 0.0 110.388 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 92.1 mt-10 -60.12 -49.67 76.74 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.466 -0.771 . . . . 0.0 111.193 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -68.06 -30.76 70.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.911 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.99 -39.96 93.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.834 -1.166 . . . . 0.0 109.473 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.541 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 92.4 m-20 -63.73 -40.07 95.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.371 -0.83 . . . . 0.0 110.298 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.87 -40.01 94.46 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.176 -0.953 . . . . 0.0 111.145 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' SER . 17.9 mt -73.85 -42.53 60.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.786 -1.197 . . . . 0.0 111.445 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.53 -16.95 61.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.401 -0.812 . . . . 0.0 109.617 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 6.9 p -84.37 -57.01 3.33 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.079 -1.013 . . . . 0.0 111.154 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 13.2 mt-10 -110.35 -29.9 7.92 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.054 -1.029 . . . . 0.0 112.395 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.27 24.54 12.86 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.883 -1.135 . . . . 0.0 109.838 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' LEU . 3.7 p -60.06 -45.67 92.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.9 m -63.18 -41.82 99.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.851 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -70.0 0.55 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.082 -1.011 . . . . 0.0 110.539 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 4.1 mm? -77.19 87.27 3.64 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -51.85 106.16 0.14 Allowed 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.06 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.9 -19.87 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.517 -0.74 . . . . 0.0 109.734 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.31 -60.84 1.96 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.98 . . . . 0.0 112.142 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.97 -46.65 88.74 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.918 -1.114 . . . . 0.0 110.105 -177.312 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 88.0 m-20 -97.42 77.25 2.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.469 -1.395 . . . . 0.0 109.697 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.41 14.44 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.67 -27.63 61.34 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.74 -32.79 73.05 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.498 -0.751 . . . . 0.0 109.679 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.83 -29.56 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 119.212 -0.995 . . . . 0.0 109.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.71 -40.08 94.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.724 -1.235 . . . . 0.0 108.057 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.48 -39.93 73.93 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.508 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -81.99 -32.87 30.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.667 -1.27 . . . . 0.0 110.101 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' ' SD ' ' A' ' 58' ' ' MET . 36.1 ttpt -60.08 -43.83 95.2 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.069 -1.019 . . . . 0.0 111.022 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.94 -40.02 87.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.81 . . . . 0.0 111.805 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -94.44 -22.66 18.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.873 -1.142 . . . . 0.0 110.342 -178.262 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 27.3 t70 -83.38 46.26 1.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.81 -1.181 . . . . 0.0 108.473 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.97 -13.83 3.05 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -75.57 -4.0 37.44 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.9 23.41 1.04 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 68' ' ' GLU . 28.0 p-10 -90.22 1.35 56.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -1.001 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.78 10.14 7.97 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.7 mt-10 -130.73 146.58 52.23 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.7 t -115.69 137.32 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 CA-C-O 121.754 0.788 . . . . 0.0 110.319 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.2 m-20 -78.28 15.11 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 40.3 t80 62.07 -43.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 95.9 mt-30 -60.1 -39.88 87.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.266 -1.521 . . . . 0.0 108.026 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.19 -39.94 88.3 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.15 -44.51 94.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.72 -0.612 . . . . 0.0 111.486 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.99 -40.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.73 -1.231 . . . . 0.0 110.987 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.35 -39.95 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.111 -1.618 . . . . 0.0 111.216 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -57.68 4.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.992 -1.068 . . . . 0.0 112.789 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.0 m -77.96 -25.01 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.384 -0.822 . . . . 0.0 112.45 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.04 73.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.288 -1.507 . . . . 0.0 109.093 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.206 -0.934 . . . . 0.0 111.003 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.13 71.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.963 -1.085 . . . . 0.0 110.745 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 5.8 t -67.31 -40.01 85.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.835 -1.165 . . . . 0.0 111.668 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 82' ' ' THR . 55.3 t -63.31 -47.03 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 110.186 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.12 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.796 -0.565 . . . . 0.0 110.187 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.98 -40.01 95.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 111.239 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.08 -47.83 84.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.006 -1.059 . . . . 0.0 110.996 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 27.4 p30 -81.03 -14.74 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.019 -1.051 . . . . 0.0 110.316 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -88.63 -16.38 32.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.377 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -82.46 -39.49 22.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.034 -1.041 . . . . 0.0 109.716 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -89.48 -17.73 28.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -66.83 -39.99 87.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 108.861 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -82.97 -12.5 57.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.864 . . . . 0.0 109.333 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.603 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.686 2.635 . . . . 0.0 119.686 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 7.3 p -103.51 25.14 10.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.377 -1.072 . . . . 0.0 109.026 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.88 -49.01 79.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.288 -0.883 . . . . 0.0 109.403 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.2 tt -73.2 -39.9 65.19 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.72 -40.0 95.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.1 m -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.9 -39.73 83.58 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.443 -0.785 . . . . 0.0 109.836 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.482 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -77.68 -35.74 51.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.733 -1.229 . . . . 0.0 110.815 -179.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.52 -32.74 70.32 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.21 -0.931 . . . . 0.0 110.806 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -76.72 -45.63 28.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.18 -26.99 63.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.283 -1.511 . . . . 0.0 109.41 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -74.66 -35.0 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.949 -1.094 . . . . 0.0 109.925 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -71.09 -42.63 69.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.254 -0.904 . . . . 0.0 109.907 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.99 -32.84 52.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 63.8 t80 -61.01 -40.02 91.97 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -84.9 -11.6 55.25 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.44 -40.06 58.09 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.537 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 58.1 t-80 -100.75 -36.79 8.98 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 110.947 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 61.1 m -55.65 -30.71 61.47 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.174 -0.954 . . . . 0.0 110.401 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.69 2.42 69.97 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.49 -26.09 35.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.571 -0.958 . . . . 0.0 109.718 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -97.0 -5.02 38.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.249 -0.907 . . . . 0.0 111.222 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 92.55 -12.37 69.93 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -86.93 37.71 0.77 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' B' ' 23' ' ' GLY . 26.9 ttpt -56.15 -12.29 1.47 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.224 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -88.1 -12.47 44.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.695 -1.253 . . . . 0.0 109.643 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' B' ' 28' ' ' LEU . 3.2 ttpm? -161.35 162.62 30.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.425 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.402 ' N ' ' CG ' ' B' ' 27' ' ' LYS . 35.8 tp -81.88 162.43 22.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.782 -1.199 . . . . 0.0 108.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 6.5 m -131.57 163.91 26.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.066 -1.021 . . . . 0.0 109.077 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.16 87.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.047 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -75.0 -34.37 61.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 110.385 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 92.4 mt-10 -60.37 -49.38 77.81 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.428 -0.795 . . . . 0.0 111.09 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.23 -30.86 70.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.391 -0.818 . . . . 0.0 110.894 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.93 -40.01 94.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.768 -1.207 . . . . 0.0 109.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.537 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 92.8 m-20 -63.51 -39.91 95.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 0.0 110.601 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -39.98 92.62 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.2 mt -73.53 -42.88 61.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.696 -1.253 . . . . 0.0 111.499 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.42 -16.58 61.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 109.713 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 7.0 p -84.76 -56.89 3.35 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.188 -0.945 . . . . 0.0 111.115 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.3 mt-10 -110.33 -29.89 7.93 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.112 -0.992 . . . . 0.0 112.306 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.25 24.24 13.25 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.874 -1.141 . . . . 0.0 109.896 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.544 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.9 p -60.01 -45.56 92.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.119 -0.988 . . . . 0.0 111.024 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.1 m -63.28 -41.69 99.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.976 . . . . 0.0 110.983 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 110.418 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 4.1 mm? -77.17 87.4 3.63 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.09 105.96 0.13 Allowed 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.113 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -123.53 -19.95 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.46 -0.775 . . . . 0.0 109.773 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.17 -60.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.126 -0.984 . . . . 0.0 112.169 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.454 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.03 -46.04 90.83 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.862 -1.149 . . . . 0.0 110.167 -177.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.6 m-20 -98.07 76.91 2.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.431 -1.418 . . . . 0.0 109.644 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -19.26 11.86 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -73.95 -27.78 61.18 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.28 -33.44 73.56 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.543 -0.723 . . . . 0.0 109.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -79.57 -29.45 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.949 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.757 -1.215 . . . . 0.0 108.118 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.59 -40.02 73.49 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.868 -0.52 . . . . 0.0 110.681 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.486 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -81.87 -32.93 30.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.0 110.084 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.464 ' N ' ' SD ' ' B' ' 58' ' ' MET . 36.1 ttpt -60.03 -43.87 95.03 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.106 -0.997 . . . . 0.0 110.944 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.07 -39.95 86.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.473 -0.767 . . . . 0.0 111.793 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -94.39 -22.55 18.24 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.869 -1.145 . . . . 0.0 110.366 -178.293 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.5 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 27.4 t70 -83.44 46.59 1.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.828 -1.17 . . . . 0.0 108.385 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.37 -13.59 3.62 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 66' ' ' ASP . 54.6 t-20 -75.75 -4.33 39.85 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.41 22.99 1.13 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' B' ' 68' ' ' GLU . 28.0 p-10 -89.94 1.08 56.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.532 -0.981 . . . . 0.0 110.422 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.03 9.96 8.26 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.7 mt-10 -130.61 146.67 52.17 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' B' ' 71' ' ' PHE . 25.7 t -115.82 137.25 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 CA-C-O 121.68 0.753 . . . . 0.0 110.229 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.1 m-20 -78.32 15.24 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.597 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 41.0 t80 61.97 -43.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 70' ' ' ASP . 95.8 mt-30 -60.09 -39.85 87.56 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.304 -1.498 . . . . 0.0 108.145 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -60.17 -40.01 88.47 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 108.62 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -44.67 94.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.666 -0.646 . . . . 0.0 111.644 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -39.91 81.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 120.659 -1.276 . . . . 0.0 110.871 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 120.406 -1.434 . . . . 0.0 111.071 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -57.9 4.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.967 -1.083 . . . . 0.0 112.915 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.6 m -77.85 -24.91 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 0.0 112.402 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -41.82 73.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.392 -1.442 . . . . 0.0 109.125 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.99 74.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.92 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -49.06 71.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.09 -1.006 . . . . 0.0 110.759 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 6.0 t -67.42 -40.39 85.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.836 -1.165 . . . . 0.0 111.578 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.412 ' N ' ' CG2' ' B' ' 82' ' ' THR . 55.1 t -62.91 -47.3 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.127 -0.983 . . . . 0.0 110.139 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.1 90.47 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.745 -0.597 . . . . 0.0 110.201 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.99 -39.98 95.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.425 -0.797 . . . . 0.0 111.31 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -60.06 -47.69 84.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.049 -1.032 . . . . 0.0 111.084 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -81.2 -15.08 56.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.996 -1.065 . . . . 0.0 110.245 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -88.38 -16.28 33.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.307 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -82.57 -39.69 21.93 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.043 -1.036 . . . . 0.0 109.564 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -89.27 -17.97 27.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.29 -0.881 . . . . 0.0 110.488 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.57 -40.05 88.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.607 -1.308 . . . . 0.0 108.852 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -82.74 -12.74 57.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 109.39 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.557 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' N ' ' CB ' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.736 0 N-CA-C 119.859 2.704 . . . . 0.0 119.859 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.455 ' HG ' ' CG ' ' A' ' 3' ' ' GLU . 17.8 t -105.16 -83.95 0.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.262 -1.14 . . . . 0.0 109.997 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' CG ' ' HG ' ' A' ' 2' ' ' SER . 9.2 mt-10 -103.23 -58.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.682 . . . . 0.0 111.923 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.05 -41.19 91.8 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.189 -0.944 . . . . 0.0 110.007 -178.027 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CB ' ' N ' ' A' ' 1' ' ' GLY . 65.3 tt0 -65.99 -40.04 90.84 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.557 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -59.28 -23.06 62.09 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.66 84.13 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -80.7 -34.76 34.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.783 -1.198 . . . . 0.0 110.617 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -31.51 69.22 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.26 -178.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 t -77.79 -50.65 11.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.315 -0.865 . . . . 0.0 111.084 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.29 -28.52 68.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.317 -1.489 . . . . 0.0 109.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -72.35 -34.28 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.47 -1.394 . . . . 0.0 109.858 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.32 -44.18 68.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.539 -0.726 . . . . 0.0 111.02 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -70.84 -31.07 44.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -62.53 -39.93 95.16 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.65 -8.18 58.38 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.3 28.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.503 -0.748 . . . . 0.0 109.705 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 20' ' ' GLY . 97.2 m-70 -113.72 -9.46 13.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.508 -0.745 . . . . 0.0 111.163 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 1.5 t -43.58 -18.1 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.239 -0.913 . . . . 0.0 110.412 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . 139.49 31.29 0.19 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -58.76 -24.81 62.29 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.07 0.02 57.35 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.659 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.79 -106.29 0.19 Allowed Glycine 0 N--CA 1.492 2.397 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.715 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.7 p-10 -79.61 80.33 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.316 -1.108 . . . . 0.0 110.568 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.37 9.03 7.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.85 . . . . 0.0 109.818 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 54.6 t80 -89.79 -9.95 47.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.125 -0.984 . . . . 0.0 109.472 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -158.29 160.04 36.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 108.946 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.8 tp -80.98 160.65 24.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.984 -1.072 . . . . 0.0 108.908 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -137.62 168.29 19.97 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.794 -1.191 . . . . 0.0 110.331 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.76 -40.02 86.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.457 -0.777 . . . . 0.0 112.415 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.02 -29.04 43.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.189 -1.57 . . . . 0.0 109.751 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 19' ' ' SER . 95.9 mt-10 -67.09 -45.55 76.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 111.022 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.95 -35.59 74.62 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.298 -0.876 . . . . 0.0 110.46 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 49.4 tttm -60.31 -34.53 73.93 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.052 -1.03 . . . . 0.0 109.229 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' O ' ' CG2' ' A' ' 39' ' ' THR . 44.2 t0 -67.65 -41.0 84.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.698 -1.252 . . . . 0.0 109.658 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.12 -43.54 95.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.75 . . . . 0.0 111.718 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -76.92 -40.0 48.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.76 -1.213 . . . . 0.0 110.821 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.533 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.5 mt-30 -70.03 -19.98 63.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.757 0.789 . . . . 0.0 109.123 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.482 ' H ' ' HG1' ' A' ' 39' ' ' THR . 4.7 p -80.84 -60.44 2.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.361 -0.837 . . . . 0.0 112.071 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.4 mt-10 -111.1 -29.95 7.67 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.947 -1.096 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.06 28.5 8.43 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.065 -1.022 . . . . 0.0 110.16 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 37' ' ' LEU . 20.6 p -62.9 -40.81 98.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.114 -0.991 . . . . 0.0 111.506 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -73.6 -38.8 65.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.964 -1.085 . . . . 0.0 112.005 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.98 -63.92 1.25 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.684 -1.26 . . . . 0.0 109.868 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -80.67 99.0 7.95 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.01 132.95 55.52 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.649 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.87 -31.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.082 -1.011 . . . . 0.0 110.081 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.02 -59.98 2.58 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.2 -0.937 . . . . 0.0 111.934 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.63 -41.7 99.17 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.504 -0.748 . . . . 0.0 110.514 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 53' ' ' ALA . 3.9 p30 -101.33 72.6 1.44 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.862 -1.149 . . . . 0.0 109.359 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.16 -22.13 3.97 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.692 -1.255 . . . . 0.0 107.748 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -70.4 -27.23 64.13 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -63.06 -31.1 72.16 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -30.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 109.116 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -66.91 -40.04 87.58 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.106 -0.996 . . . . 0.0 108.869 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -70.09 -39.91 75.28 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.056 0.931 . . . . 0.0 110.388 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -40.09 87.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.478 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASP . 60.7 mtp -76.59 -37.46 56.45 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.078 0.942 . . . . 0.0 111.213 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.0 -34.33 73.19 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 122.839 1.304 . . . . 0.0 108.274 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.01 -49.92 75.77 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.648 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' H ' ' CD2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -110.28 -18.77 13.2 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.196 -0.94 . . . . 0.0 110.832 -178.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 64' ' ' ASN . 10.4 t0 -84.32 26.68 0.75 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 61' ' ' LEU . 44.8 mt-10 -50.08 -8.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.731 -0.606 . . . . 0.0 110.035 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -74.51 -5.92 45.48 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.161 -0.962 . . . . 0.0 108.688 179.437 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.42 21.47 48.61 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 68' ' ' GLU . 49.4 p-10 -90.17 0.01 57.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -1.015 . . . . 0.0 110.412 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.45 8.43 1.8 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 66' ' ' ASP . 50.9 mt-10 -130.3 139.91 50.69 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 71' ' ' PHE . 20.9 t -110.6 140.05 31.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-O 121.427 0.632 . . . . 0.0 110.375 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLN . 92.6 m-20 -74.27 15.14 0.35 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.418 -0.801 . . . . 0.0 109.729 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 70.1 t80 63.75 -48.17 0.26 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 122.025 -0.422 . . . . 0.0 110.629 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ASP . 62.9 tp60 -60.06 -37.99 81.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 107.835 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.94 -45.51 92.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 108.988 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -60.02 -43.56 95.18 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -39.95 81.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 120.704 -1.247 . . . . 0.0 110.235 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.89 -40.01 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.59 -1.319 . . . . 0.0 111.663 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.76 -56.62 11.03 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.778 -1.201 . . . . 0.0 112.337 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.82 -21.52 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.024 -1.048 . . . . 0.0 111.538 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.45 -50.57 58.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.875 -1.141 . . . . 0.0 109.744 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.07 83.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.405 -0.809 . . . . 0.0 111.304 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.42 -49.88 75.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 0.0 110.98 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -67.52 -40.13 85.08 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.27 -0.894 . . . . 0.0 112.021 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.83 -45.56 98.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.284 -0.885 . . . . 0.0 110.001 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.02 91.26 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.536 -0.727 . . . . 0.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.51 -39.96 89.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.066 -1.021 . . . . 0.0 110.414 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.89 -40.07 96.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.168 -0.958 . . . . 0.0 110.666 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.32 -39.98 94.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.045 -1.034 . . . . 0.0 109.716 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.26 -40.12 96.52 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.118 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -71.47 -40.0 70.55 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.064 -1.023 . . . . 0.0 108.588 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -65.17 -42.52 93.59 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.513 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.65 -39.2 91.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.123 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.5 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.744 0 N-CA-C 119.73 2.652 . . . . 0.0 119.73 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -105.17 -84.33 0.5 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.365 -1.079 . . . . 0.0 110.018 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 9.8 mt-10 -102.84 -58.16 1.92 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.632 -0.667 . . . . 0.0 111.961 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.46 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -60.02 -41.25 91.75 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.229 -0.919 . . . . 0.0 110.019 -177.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -65.97 -39.82 90.71 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.977 -1.489 . . . . 0.0 108.575 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -59.41 -22.98 62.23 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.61 83.52 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.404 0.621 . . . . 0.0 110.178 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.0 mmm -80.64 -34.89 34.59 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.808 -1.182 . . . . 0.0 110.589 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -31.19 68.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.164 -0.96 . . . . 0.0 110.268 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t -78.03 -50.83 11.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.277 -0.889 . . . . 0.0 111.035 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.09 -28.55 68.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.322 -1.486 . . . . 0.0 109.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.47 -34.17 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.485 -1.385 . . . . 0.0 109.941 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.91 -43.58 68.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.254 -0.904 . . . . 0.0 111.075 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.67 -31.34 45.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 2.0 t80 -62.38 -39.98 94.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -85.75 -7.91 58.47 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.13 -36.51 27.41 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.461 -0.774 . . . . 0.0 109.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 20' ' ' GLY . 97.4 m-70 -113.42 -9.51 13.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.172 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.5 t -43.74 -17.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.19 -0.944 . . . . 0.0 110.317 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 18' ' ' HIS . . . 139.43 31.53 0.19 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -58.95 -24.85 62.96 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.01 0.02 57.34 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.617 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.84 -106.29 0.19 Allowed Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.798 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 29.1 p-10 -79.59 80.65 5.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.21 -1.171 . . . . 0.0 110.491 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -81.51 8.99 8.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.399 -0.813 . . . . 0.0 109.809 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -89.88 -9.96 47.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.037 -1.04 . . . . 0.0 109.514 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.37 160.02 36.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 108.781 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -80.97 160.78 24.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.999 -1.063 . . . . 0.0 108.805 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -137.09 169.03 18.46 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.869 -1.144 . . . . 0.0 110.264 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.1 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.669 -0.644 . . . . 0.0 112.514 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -28.88 41.84 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.289 -1.507 . . . . 0.0 109.818 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 19' ' ' SER . 95.9 mt-10 -67.13 -45.62 76.57 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 110.981 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.97 -35.82 74.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.238 -0.914 . . . . 0.0 110.498 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.8 tttm -60.14 -34.49 73.62 Favored 'General case' 0 C--O 1.196 -1.754 0 O-C-N 121.107 -0.996 . . . . 0.0 109.253 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.467 ' O ' ' CG2' ' B' ' 39' ' ' THR . 44.8 t0 -67.76 -40.07 84.08 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.69 -1.256 . . . . 0.0 109.858 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -43.37 98.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.422 -0.799 . . . . 0.0 111.727 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' B' ' 42' ' ' SER . 38.2 mt -76.86 -40.03 49.06 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.809 -1.182 . . . . 0.0 110.764 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.5 mt-30 -70.01 -20.15 63.29 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.635 0.731 . . . . 0.0 109.181 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 5.2 p -80.63 -60.51 2.28 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.51 -0.744 . . . . 0.0 112.047 -178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.4 mt-10 -111.17 -29.9 7.67 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.861 -1.149 . . . . 0.0 111.974 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.09 28.05 8.89 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.049 -1.032 . . . . 0.0 110.225 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 37' ' ' LEU . 19.8 p -62.49 -40.79 97.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.159 -0.963 . . . . 0.0 111.577 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -73.59 -38.99 64.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.924 -1.11 . . . . 0.0 111.913 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.99 -63.94 1.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.757 -1.214 . . . . 0.0 109.968 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.1 mm? -80.69 99.04 7.98 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.0 133.14 55.81 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.617 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -155.81 -31.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.052 -1.03 . . . . 0.0 109.997 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.03 -59.98 2.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.083 -1.01 . . . . 0.0 111.952 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -62.86 -41.08 99.24 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.512 -0.742 . . . . 0.0 110.547 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 53' ' ' ALA . 3.8 p30 -101.56 72.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.756 -1.215 . . . . 0.0 109.433 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.97 -22.14 3.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.62 -1.3 . . . . 0.0 107.792 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' B' ' 50' ' ' ASP . 90.4 m-20 -70.42 -27.34 64.2 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.93 -31.45 72.54 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.44 -31.19 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.931 . . . . 0.0 109.069 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -66.74 -40.02 88.16 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 121.132 -0.98 . . . . 0.0 108.964 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -70.16 -39.92 75.05 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.375 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -39.94 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 62' ' ' ASP . 62.6 mtp -76.41 -37.44 57.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.054 0.93 . . . . 0.0 111.212 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.08 -34.37 73.35 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.796 1.284 . . . . 0.0 108.256 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.99 -49.9 75.85 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.624 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.581 ' H ' ' CD2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -110.4 -18.79 13.16 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' B' ' 64' ' ' ASN . 10.5 t0 -84.33 26.42 0.77 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' B' ' 61' ' ' LEU . 45.0 mt-10 -49.84 -8.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.825 -0.547 . . . . 0.0 110.121 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -74.47 -6.65 49.54 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 108.733 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.96 21.64 52.99 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' B' ' 68' ' ' GLU . 49.8 p-10 -90.28 -0.04 57.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.433 -1.039 . . . . 0.0 110.405 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.56 8.21 1.8 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' B' ' 66' ' ' ASP . 50.3 mt-10 -130.12 139.83 50.86 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -110.46 140.02 31.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.38 0.61 . . . . 0.0 110.522 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 72' ' ' GLN . 92.4 m-20 -74.28 15.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 109.82 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 70.0 t80 63.75 -48.27 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 122.013 -0.429 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' B' ' 70' ' ' ASP . 62.3 tp60 -59.98 -38.12 81.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.578 -1.326 . . . . 0.0 107.77 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -59.94 -45.5 92.42 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 108.931 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -59.97 -43.71 94.93 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -39.97 81.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.512 -1.367 . . . . 0.0 110.223 -177.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.59 -40.02 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.9 -1.125 . . . . 0.0 111.648 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.84 -56.76 10.19 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 112.482 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 14.4 m -73.86 -21.25 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 111.51 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.61 -50.44 58.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.135 . . . . 0.0 109.734 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.99 82.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 111.273 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.44 -49.9 75.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.812 -1.18 . . . . 0.0 111.123 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -67.28 -41.27 85.73 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 111.776 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -45.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 121.242 -0.911 . . . . 0.0 109.879 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.28 92.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.505 -0.747 . . . . 0.0 110.283 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 81.0 m -60.31 -40.07 89.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 110.398 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.7 -40.01 95.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.934 . . . . 0.0 110.735 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.3 -40.01 95.06 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.125 -0.984 . . . . 0.0 109.713 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -63.46 -40.06 96.12 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.006 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -71.49 -40.0 70.51 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.051 -1.03 . . . . 0.0 108.612 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -65.0 -42.95 94.01 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.484 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.14 -39.47 93.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.158 -0.964 . . . . 0.0 109.144 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.372 -0.83 . . . . 0.0 109.067 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.397 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.014 0 N-CA-C 119.88 2.712 . . . . 0.0 119.88 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 19.0 m -100.29 20.72 14.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.327 -1.101 . . . . 0.0 109.437 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.01 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.261 -0.899 . . . . 0.0 109.282 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.5 tt -71.22 -39.44 71.72 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.06 -39.96 94.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -64.51 -22.6 67.01 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.87 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.227 -0.921 . . . . 0.0 109.466 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.9 mtm -78.1 -34.27 50.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.827 -1.171 . . . . 0.0 110.641 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 5.6 pt-20 -70.71 -32.95 70.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.962 -1.086 . . . . 0.0 110.654 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 t -77.37 -45.14 26.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.248 -0.908 . . . . 0.0 111.903 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.93 -28.43 64.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.208 -1.558 . . . . 0.0 108.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.29 -37.35 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.144 -0.972 . . . . 0.0 109.777 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 15.1 m120 -70.02 -40.09 75.42 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.983 0.897 . . . . 0.0 110.109 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -32.01 42.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.2 t80 -62.99 -39.91 96.16 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.06 -9.62 54.99 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.0 51.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.644 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -103.69 -39.98 6.47 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.428 -0.795 . . . . 0.0 110.44 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 t -65.93 -23.49 66.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.106 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.1 -7.7 67.63 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -71.21 -31.81 68.06 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.762 -0.846 . . . . 0.0 108.728 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' ASP . 98.5 mt-10 -94.18 112.45 24.26 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . -31.02 -31.66 0.01 OUTLIER Glycine 0 N--CA 1.502 3.098 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 22' ' ' GLU . 91.8 m-20 -71.41 47.4 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.725 -1.456 . . . . 0.0 107.733 178.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 23' ' ' GLY . 28.3 mtmm -61.55 6.51 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.854 -0.529 . . . . 0.0 111.078 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 24' ' ' ASP . 80.7 m-85 -86.75 -10.07 54.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.512 -1.367 . . . . 0.0 109.785 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.18 161.11 30.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.873 -1.142 . . . . 0.0 110.662 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.3 tp -83.29 166.24 18.68 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.523 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 41.1 t -137.07 164.54 28.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.798 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.294 -0.878 . . . . 0.0 111.199 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -70.53 -35.18 73.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.865 -1.147 . . . . 0.0 109.993 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 29' ' ' SER . 74.0 mt-10 -63.72 -50.08 70.55 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.294 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.34 -30.22 70.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.175 -0.953 . . . . 0.0 110.112 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.512 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 28.7 tptp -60.6 -39.98 90.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.304 -0.873 . . . . 0.0 109.539 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OG1' ' A' ' 39' ' ' THR . 47.2 t0 -68.91 -40.03 79.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.643 -0.661 . . . . 0.0 110.714 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.82 -40.04 91.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.268 -0.895 . . . . 0.0 111.432 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.37 -44.09 53.66 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.893 -1.13 . . . . 0.0 111.345 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.512 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 13.4 pt20 -69.99 -20.05 63.31 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.396 -0.815 . . . . 0.0 109.389 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.468 ' HG1' ' H ' ' A' ' 40' ' ' GLU . 5.1 p -81.59 -57.1 3.61 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.222 -0.924 . . . . 0.0 112.228 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.0 mt-10 -112.28 -25.83 9.07 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.026 -1.046 . . . . 0.0 112.968 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.95 23.65 14.08 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 120.687 -1.258 . . . . 0.0 109.928 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -59.92 -40.39 88.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.123 -0.985 . . . . 0.0 111.164 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.5 p -70.87 -40.94 72.0 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.881 -1.137 . . . . 0.0 111.464 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -78.59 -70.1 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.776 -1.203 . . . . 0.0 110.362 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -82.59 96.41 8.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 14.3 p-10 -59.41 97.85 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.133 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -111.08 -16.85 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.623 -0.673 . . . . 0.0 109.618 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.89 -60.05 2.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.0 -1.063 . . . . 0.0 112.389 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -46.51 89.18 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.937 -1.102 . . . . 0.0 109.995 -177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' ALA . 87.5 m-20 -99.15 78.46 2.24 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.626 -1.296 . . . . 0.0 109.718 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.9 17.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 53.5 t0 -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.76 -34.41 78.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.18 -26.64 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.904 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -69.97 -37.67 75.86 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.706 -1.246 . . . . 0.0 108.034 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 122.171 0.986 . . . . 0.0 109.494 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -37.55 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.29 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.514 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 10.6 mmm -75.44 -33.07 60.87 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.776 0.798 . . . . 0.0 110.451 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.52 -40.01 85.09 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 122.46 1.124 . . . . 0.0 109.995 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -62.47 -40.39 96.5 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.908 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -103.73 -28.56 11.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.115 -0.991 . . . . 0.0 110.705 -178.323 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' H ' HD22 ' A' ' 61' ' ' LEU . 25.0 t0 -84.3 31.85 0.51 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.9 tt0 -49.71 -19.32 0.6 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.604 0.716 . . . . 0.0 109.2 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' ASP . 1.2 t-20 -72.62 -12.23 60.96 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.54 38.21 94.49 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.572 ' C ' ' H ' ' A' ' 68' ' ' GLU . 1.2 m-20 -93.43 -9.15 39.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.993 -1.298 . . . . 0.0 110.137 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 0.93 9.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 106.768 -2.533 . . . . 0.0 106.768 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.5 mt-10 -130.06 146.54 51.73 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.542 ' C ' ' H ' ' A' ' 71' ' ' PHE . 16.8 t -115.78 136.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-O 121.472 0.653 . . . . 0.0 110.787 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLN . 90.9 m-20 -72.23 16.84 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.658 -0.651 . . . . 0.0 109.459 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 68.6 t80 62.59 -48.67 0.18 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 122.01 -0.431 . . . . 0.0 110.621 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' ASP . 64.0 tt0 -60.06 -38.53 83.12 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.615 -1.303 . . . . 0.0 107.816 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -39.98 87.51 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.14 -45.52 93.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.605 -0.684 . . . . 0.0 112.603 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -60.02 -39.52 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 120.591 -1.318 . . . . 0.0 110.771 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.85 -39.95 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.497 -1.377 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.98 -56.31 12.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.787 -1.196 . . . . 0.0 112.438 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 m -75.2 -21.77 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.174 -0.954 . . . . 0.0 111.566 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.3 67.37 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.667 -1.27 . . . . 0.0 109.148 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.66 75.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.316 -0.865 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -55.13 33.08 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.913 -1.117 . . . . 0.0 110.758 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -64.58 -39.99 94.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.946 -1.096 . . . . 0.0 111.749 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.01 -41.57 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.946 -1.096 . . . . 0.0 109.564 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.97 84.45 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.423 -0.798 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.03 -39.93 87.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.861 . . . . 0.0 109.795 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.973 . . . . 0.0 110.406 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -59.93 -40.2 88.07 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.932 -1.105 . . . . 0.0 108.851 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.27 -39.9 92.09 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.838 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.4 -37.0 85.66 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.1 -39.72 94.66 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.57 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.85 -39.42 85.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 0.0 109.242 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 28.5 m120 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.86 . . . . 0.0 108.777 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.584 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.833 2.693 . . . . 0.0 119.833 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 6' ' ' THR . 14.7 m -100.14 20.3 14.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.263 -1.14 . . . . 0.0 109.448 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -60.09 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.511 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 2.5 tt -70.97 -39.7 72.38 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.94 -39.97 93.93 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.0 m -64.53 -22.41 66.96 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.67 84.16 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 109.425 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.7 mtm -78.23 -34.33 49.3 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.922 -1.111 . . . . 0.0 110.679 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 6.0 pt-20 -70.62 -32.89 70.39 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.965 -1.084 . . . . 0.0 110.584 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t -77.52 -44.99 26.88 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.285 -0.884 . . . . 0.0 111.834 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.99 -28.26 64.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.279 -1.513 . . . . 0.0 108.859 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.5 -37.44 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.099 -1.0 . . . . 0.0 109.815 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.5 m120 -70.03 -40.0 75.44 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.276 -0.89 . . . . 0.0 110.214 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -31.99 43.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.1 t80 -63.03 -39.97 96.33 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.19 -9.13 55.96 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.66 -40.08 50.18 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.081 -1.012 . . . . 0.0 109.606 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -103.85 -40.04 6.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -66.09 -23.59 66.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.024 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.31 -7.33 67.62 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -71.34 -31.36 67.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 24' ' ' ASP . 99.2 mt-10 -94.42 112.33 24.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . -30.74 -32.05 0.01 OUTLIER Glycine 0 N--CA 1.504 3.168 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' GLU . 89.9 m-20 -71.63 48.15 0.14 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.658 -1.495 . . . . 0.0 107.671 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' B' ' 23' ' ' GLY . 27.6 mtmm -62.06 6.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.907 -0.495 . . . . 0.0 110.92 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' B' ' 24' ' ' ASP . 79.0 m-85 -86.94 -10.13 53.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.5 -1.375 . . . . 0.0 109.823 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -161.07 160.83 30.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.818 -1.176 . . . . 0.0 110.647 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -82.89 166.27 19.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 35.5 t -137.28 164.12 29.31 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.946 -1.096 . . . . 0.0 109.744 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -69.96 -35.67 74.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.851 -1.155 . . . . 0.0 110.099 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 29' ' ' SER . 73.4 mt-10 -63.41 -49.9 71.94 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.678 -0.639 . . . . 0.0 111.373 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.77 -29.49 69.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.216 -0.928 . . . . 0.0 110.165 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 29.0 tptp -61.09 -40.04 92.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 109.323 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' B' ' 39' ' ' THR . 46.1 t0 -68.7 -39.83 80.3 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.382 0.611 . . . . 0.0 110.906 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.35 -40.03 89.57 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.346 -0.846 . . . . 0.0 111.476 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -74.37 -44.25 53.02 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.985 -1.072 . . . . 0.0 111.302 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 13.6 pt20 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.448 -0.783 . . . . 0.0 109.463 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' B' ' 39' ' ' THR . 5.2 p -81.64 -57.06 3.62 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.225 -0.922 . . . . 0.0 112.192 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.2 mt-10 -112.17 -26.09 8.99 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.003 -1.06 . . . . 0.0 113.052 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -109.98 23.81 13.85 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.044 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.8 p -60.1 -40.2 88.81 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.173 -0.955 . . . . 0.0 111.045 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -70.91 -41.24 71.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.893 -1.13 . . . . 0.0 111.454 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -78.24 -70.0 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 110.419 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.76 96.52 8.21 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 15.4 p-10 -59.46 97.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.129 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -111.21 -16.56 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.701 -0.625 . . . . 0.0 109.634 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.02 -60.25 2.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.936 -1.102 . . . . 0.0 112.358 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.81 91.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.884 -1.126 . . . . 0.0 110.101 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.3 m-20 -99.76 78.25 2.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.476 -1.39 . . . . 0.0 109.7 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.38 -19.93 17.04 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -73.14 -24.21 60.57 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.26 -35.26 80.49 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 p -77.52 -26.76 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.042 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -69.99 -37.26 75.67 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.747 -1.221 . . . . 0.0 108.119 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -69.85 -39.92 76.1 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.057 0.932 . . . . 0.0 109.428 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -37.38 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.594 0.711 . . . . 0.0 109.285 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 10.3 mmm -75.61 -32.87 60.47 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.735 0.778 . . . . 0.0 110.369 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -67.35 -40.0 85.78 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 122.458 1.123 . . . . 0.0 110.008 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.72 -40.12 96.19 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.941 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' B' ' 63' ' ' GLU . 0.9 OUTLIER -103.95 -28.55 11.49 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.023 -1.048 . . . . 0.0 110.68 -178.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.42 ' H ' HD23 ' B' ' 61' ' ' LEU . 24.7 t0 -84.19 31.97 0.5 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.8 tt0 -49.73 -19.33 0.61 Allowed 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' B' ' 62' ' ' ASP . 1.1 t-20 -72.64 -12.32 61.0 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.76 38.05 94.04 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' B' ' 68' ' ' GLU . 1.7 m-20 -93.08 -9.9 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.045 -1.268 . . . . 0.0 110.041 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.43 1.31 10.24 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 106.625 -2.59 . . . . 0.0 106.625 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.3 mt-10 -130.17 146.26 51.79 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -115.71 136.87 51.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.7 m-20 -72.11 16.62 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.559 -0.713 . . . . 0.0 109.6 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 68.7 t80 62.66 -48.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 122.02 -0.425 . . . . 0.0 110.649 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' B' ' 70' ' ' ASP . 64.1 tt0 -60.08 -38.32 82.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.665 -1.272 . . . . 0.0 107.796 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -62.43 -45.22 94.07 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.589 -0.695 . . . . 0.0 112.784 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -59.95 -39.95 81.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 120.6 -1.312 . . . . 0.0 110.656 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.26 -39.92 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.626 -1.296 . . . . 0.0 111.204 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.53 -56.21 11.93 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.819 -1.176 . . . . 0.0 112.454 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.23 -21.73 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.221 -0.924 . . . . 0.0 111.618 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.31 -48.47 67.5 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.594 -1.316 . . . . 0.0 109.126 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.47 75.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.242 -0.911 . . . . 0.0 110.947 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -55.22 31.66 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.876 -1.14 . . . . 0.0 110.773 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.55 -39.97 94.73 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.953 -1.092 . . . . 0.0 111.695 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -41.66 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.871 -1.143 . . . . 0.0 109.634 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.92 83.94 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 109.617 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 m -59.88 -40.05 87.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.242 -0.911 . . . . 0.0 109.757 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.99 87.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.071 -1.018 . . . . 0.0 110.483 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -59.99 -40.14 88.12 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.961 -1.087 . . . . 0.0 108.888 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -61.09 -40.0 92.04 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.454 -0.899 . . . . 0.0 109.865 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -65.63 -36.61 84.21 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.3 -39.66 94.36 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.549 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.24 84.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.161 -0.962 . . . . 0.0 109.253 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.06 -39.8 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.308 -0.87 . . . . 0.0 108.829 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.556 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' CA ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.905 0 N-CA-C 119.187 2.435 . . . . 0.0 119.187 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 18.5 m -107.02 -80.91 0.56 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -1.154 . . . . 0.0 110.794 -179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -102.45 -58.64 1.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.479 -0.763 . . . . 0.0 112.371 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.99 -39.98 87.59 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' OE1' ' CA ' ' A' ' 1' ' ' GLY . 59.6 tt0 -62.82 -39.97 95.95 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.986 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -23.25 66.01 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.58 81.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.578 -0.701 . . . . 0.0 110.235 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -81.28 -33.54 32.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.714 -1.241 . . . . 0.0 110.388 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -29.99 66.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.115 -0.991 . . . . 0.0 109.986 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.3 t -80.01 -52.05 8.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.136 -0.978 . . . . 0.0 111.174 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.22 -28.52 69.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.326 -1.484 . . . . 0.0 109.398 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.28 -36.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.763 -1.21 . . . . 0.0 110.147 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -69.76 -45.38 68.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.448 -0.783 . . . . 0.0 110.854 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -70.25 -30.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.3 t80 -62.82 -40.03 96.15 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -87.13 -9.3 55.65 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -77.13 -38.77 51.34 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.416 -0.803 . . . . 0.0 109.366 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -105.37 -20.61 13.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.385 -0.822 . . . . 0.0 111.311 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.8 m -70.06 -23.02 63.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.09 -1.006 . . . . 0.0 111.556 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.72 2.61 32.13 Favored Glycine 0 N--CA 1.501 2.995 0 O-C-N 121.092 -1.005 . . . . 0.0 111.127 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 17' ' ' ALA . 46.3 mtpt -87.8 -15.91 35.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.865 -1.374 . . . . 0.0 110.386 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -99.48 -5.07 29.97 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.222 -0.924 . . . . 0.0 110.344 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 98.27 -35.63 4.47 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -71.6 63.97 0.43 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.3 ttpp -80.0 -10.3 59.76 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.191 -178.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -78.2 -8.5 58.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.252 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -176.09 -179.95 1.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 109.534 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' HG ' ' A' ' 19' ' ' SER . 40.6 tp -83.92 165.14 18.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.37 -0.831 . . . . 0.0 109.28 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.422 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 8.6 p -134.46 166.95 21.67 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.908 -1.12 . . . . 0.0 109.829 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.93 -40.02 87.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.22 -0.925 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -76.77 -33.9 58.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.379 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 29' ' ' SER . 94.2 mt-10 -62.39 -44.23 96.94 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.587 -0.695 . . . . 0.0 110.918 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.93 -28.64 65.75 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -60.04 -40.0 87.87 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 109.118 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' O ' ' CG2' ' A' ' 39' ' ' THR . 95.5 m-20 -71.0 -40.0 72.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.83 -1.169 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.95 -41.91 92.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.968 -1.082 . . . . 0.0 110.875 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.4 mt -77.51 -40.06 44.1 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.734 -1.229 . . . . 0.0 110.333 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -70.06 -20.0 63.25 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.0 109.077 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 5.2 p -80.05 -57.44 3.63 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.123 -0.986 . . . . 0.0 110.705 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' B' ' 2' ' ' SER . 22.8 mm-40 -109.98 -29.14 8.38 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.963 -1.085 . . . . 0.0 112.609 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 mp -110.59 25.79 11.4 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 120.844 -1.16 . . . . 0.0 110.821 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.2 p -60.02 -56.67 18.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.808 -1.182 . . . . 0.0 111.721 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 42' ' ' SER . 74.1 m -66.41 -40.01 89.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.227 -0.92 . . . . 0.0 112.361 -177.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -74.55 -65.4 0.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.576 -1.328 . . . . 0.0 110.783 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -83.03 98.12 9.11 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 29.2 t0 -51.95 123.15 9.71 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.137 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.33 -29.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.382 -0.824 . . . . 0.0 109.692 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -81.67 -57.19 3.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.369 -0.832 . . . . 0.0 111.215 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -60.24 -39.83 88.08 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.89 -1.131 . . . . 0.0 110.151 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -105.03 81.22 1.7 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.823 -1.173 . . . . 0.0 109.39 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -23.16 64.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 108.568 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -68.69 -24.46 64.5 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.84 73.94 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.57 -30.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.989 -1.07 . . . . 0.0 109.235 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -66.54 -40.08 88.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.932 -1.105 . . . . 0.0 108.756 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.35 -40.03 74.3 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.998 0.904 . . . . 0.0 111.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.18 -40.12 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.037 -177.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.11 -25.1 34.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 110.088 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.95 -42.3 93.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.881 -1.137 . . . . 0.0 109.374 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -59.95 -38.11 81.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 63' ' ' GLU . 3.7 mp -74.91 -62.77 1.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.384 0.612 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' C ' ' N ' ' A' ' 64' ' ' ASN . 90.7 m-20 -78.63 40.92 0.39 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 61' ' ' LEU . 84.0 tt0 -52.48 -16.83 0.99 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' N ' ' C ' ' A' ' 62' ' ' ASP . 91.0 m-20 -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.15 30.06 69.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 68' ' ' GLU . 25.7 p-10 -90.03 -0.84 57.8 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.153 -1.204 . . . . 0.0 109.845 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.33 10.05 0.3 Allowed Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 66' ' ' ASP . 42.5 mt-10 -132.52 131.31 41.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.501 -0.999 . . . . 0.0 108.935 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' A' ' 71' ' ' PHE . 21.2 t -99.1 140.38 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.447 -0.783 . . . . 0.0 110.224 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' GLN . 71.4 m-20 -75.88 19.16 0.22 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.395 -0.815 . . . . 0.0 109.439 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 90.2 t80 63.68 -48.47 0.25 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 122.083 -0.385 . . . . 0.0 111.919 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.8 mt-30 -59.9 -39.72 86.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.426 -1.421 . . . . 0.0 108.715 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.78 -39.56 85.32 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.48 -44.86 93.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.84 -40.05 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.42 -1.425 . . . . 0.0 110.566 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -71.75 -36.65 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.448 -1.407 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.53 -56.45 19.88 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.88 -1.138 . . . . 0.0 111.909 -177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.46 -22.3 14.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.871 -0.518 . . . . 0.0 111.251 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.04 -48.01 59.7 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.134 -1.027 . . . . 0.0 109.918 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.99 75.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.18 -0.95 . . . . 0.0 111.204 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.28 -48.81 78.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.697 -1.252 . . . . 0.0 110.307 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 94.6 m -61.25 -40.06 92.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.999 -1.063 . . . . 0.0 110.714 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.19 -45.23 96.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.137 -0.977 . . . . 0.0 110.358 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.82 95.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.585 -0.697 . . . . 0.0 111.455 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 82' ' ' THR . 17.5 p -60.63 -39.98 90.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 0.0 109.508 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 11.5 t-20 -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.384 -0.823 . . . . 0.0 110.444 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 55.0 t-20 -67.77 -38.28 83.19 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.115 -0.991 . . . . 0.0 110.189 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.75 -26.96 64.56 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.294 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.55 -6.5 44.38 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.17 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -69.92 -4.91 22.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.059 -1.026 . . . . 0.0 109.502 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -39.68 86.59 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.288 -0.883 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.133 -0.979 . . . . 0.0 109.153 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.754 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.491 ' CA ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.826 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.423 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 18.4 m -106.91 -81.31 0.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -1.184 . . . . 0.0 110.587 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.24 -58.49 1.87 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.439 -0.788 . . . . 0.0 112.442 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.01 -40.03 87.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.491 ' OE1' ' CA ' ' B' ' 1' ' ' GLY . 58.0 tt0 -62.93 -40.01 96.31 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.82 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.1 m -61.87 -22.98 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.9 mmt -81.14 -34.07 32.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.751 -1.218 . . . . 0.0 110.422 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -30.14 67.28 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.083 -1.011 . . . . 0.0 110.124 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -79.81 -52.25 8.14 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.164 -0.96 . . . . 0.0 111.247 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -28.86 69.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.251 -1.531 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.96 -36.6 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.775 -1.203 . . . . 0.0 110.24 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -70.13 -45.05 67.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.209 -0.932 . . . . 0.0 110.986 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.09 -30.86 45.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.3 t80 -62.97 -40.08 96.65 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -87.02 -9.52 55.35 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 21' ' ' LYS . . . -76.89 -38.69 53.1 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -105.47 -20.56 13.44 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.378 -0.826 . . . . 0.0 111.327 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' B' ' 15' ' ' PHE . 75.6 m -70.15 -22.88 62.93 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.125 -0.984 . . . . 0.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.07 3.08 31.51 Favored Glycine 0 N--CA 1.502 3.079 0 O-C-N 120.981 -1.075 . . . . 0.0 111.147 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' B' ' 17' ' ' ALA . 45.5 mtpt -88.14 -15.53 35.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.812 -1.405 . . . . 0.0 110.251 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -99.89 -5.01 29.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 98.45 -36.0 4.26 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -71.45 63.95 0.4 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 23' ' ' GLY . 9.9 ttpp -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.305 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.63 -8.83 59.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.952 -1.093 . . . . 0.0 109.197 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -175.91 179.71 1.29 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.511 -0.743 . . . . 0.0 109.498 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 tp -83.34 165.05 19.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.347 -0.846 . . . . 0.0 109.344 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 10.0 p -133.78 167.19 20.99 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.95 -1.094 . . . . 0.0 109.766 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.93 -40.04 87.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.285 -0.884 . . . . 0.0 111.269 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.89 -33.62 57.79 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.723 -1.236 . . . . 0.0 110.227 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 29' ' ' SER . 93.9 mt-10 -62.81 -44.06 97.15 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.549 -0.719 . . . . 0.0 110.822 -178.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.91 -28.68 65.81 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.335 -0.853 . . . . 0.0 110.05 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -59.96 -39.93 87.31 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' B' ' 39' ' ' THR . 95.8 m-20 -70.97 -39.92 72.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.907 -1.12 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.14 -41.94 93.8 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.985 -1.072 . . . . 0.0 110.851 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.5 mt -77.34 -40.18 45.0 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.682 -1.261 . . . . 0.0 110.358 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' B' ' 48' ' ' GLN . 97.9 mt-30 -70.11 -20.17 63.2 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.53 -0.731 . . . . 0.0 109.096 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.474 ' H ' ' HG1' ' B' ' 39' ' ' THR . 5.7 p -79.75 -57.66 3.56 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.755 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 2' ' ' SER . 22.0 mm-40 -109.93 -29.11 8.41 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 112.617 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -110.49 25.87 11.3 Favored 'General case' 0 N--CA 1.517 2.917 0 O-C-N 120.857 -1.152 . . . . 0.0 110.845 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' B' ' 43' ' ' SER . 4.3 p -59.92 -57.01 14.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.784 -1.197 . . . . 0.0 111.764 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.51 ' N ' ' OG ' ' B' ' 42' ' ' SER . 69.9 m -66.31 -40.06 89.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 112.28 -177.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.51 -65.84 0.81 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.757 -1.215 . . . . 0.0 110.618 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.86 98.6 9.25 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' B' ' 46' ' ' ASP . 28.0 t0 -52.54 123.04 10.06 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.14 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.21 -30.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.399 -0.813 . . . . 0.0 109.723 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' B' ' 38' ' ' GLN . 2.2 pt20 -81.15 -57.25 3.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.324 -0.86 . . . . 0.0 111.207 -178.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -60.22 -39.99 88.59 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.95 -1.093 . . . . 0.0 110.142 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -105.02 81.62 1.76 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.862 -1.149 . . . . 0.0 109.362 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.41 65.08 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 108.466 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -68.44 -25.1 64.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.92 76.78 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -29.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.939 -1.101 . . . . 0.0 109.379 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.65 -40.02 88.5 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.933 -1.104 . . . . 0.0 108.769 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.35 -40.01 74.34 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.873 0.844 . . . . 0.0 111.29 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -40.0 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.813 -0.554 . . . . 0.0 110.101 -177.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.1 -25.08 34.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.765 -1.209 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.94 -42.3 93.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 109.185 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.05 -38.51 82.99 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -74.48 -62.82 1.39 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.426 0.632 . . . . 0.0 110.614 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' B' ' 64' ' ' ASN . 91.3 m-20 -78.17 40.88 0.35 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.412 -0.805 . . . . 0.0 108.88 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' B' ' 61' ' ' LEU . 83.5 tt0 -52.46 -16.78 0.97 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' B' ' 62' ' ' ASP . 90.7 m-20 -86.37 -3.53 59.01 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.636 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.01 70.09 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' B' ' 68' ' ' GLU . 25.4 p-10 -89.98 -0.99 57.89 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.088 -1.242 . . . . 0.0 109.759 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.52 10.01 0.32 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' B' ' 66' ' ' ASP . 41.8 mt-10 -132.59 131.31 41.33 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.473 -1.016 . . . . 0.0 108.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -99.18 140.13 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.515 -0.741 . . . . 0.0 110.298 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -75.59 19.12 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.518 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 89.3 t80 63.9 -48.71 0.27 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 122.079 -0.388 . . . . 0.0 111.886 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.08 -39.3 85.63 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.395 -1.44 . . . . 0.0 108.747 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.97 -39.6 86.2 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.62 -44.69 93.18 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.04 -40.04 82.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 120.233 -1.542 . . . . 0.0 110.434 -176.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 11.4 m -71.23 -37.48 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.588 -1.32 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.9 tp -61.06 -56.21 23.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.914 -1.116 . . . . 0.0 112.177 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.6 -22.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.829 -0.545 . . . . 0.0 111.137 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -48.72 57.25 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.179 -1.009 . . . . 0.0 109.86 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.95 77.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 111.129 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.33 -48.59 79.14 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.823 -1.173 . . . . 0.0 110.462 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.518 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 94.6 m -61.69 -40.02 93.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.036 -1.04 . . . . 0.0 110.446 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -45.09 95.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.237 -0.914 . . . . 0.0 110.203 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.89 95.39 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.444 -0.785 . . . . 0.0 111.705 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' B' ' 82' ' ' THR . 17.6 p -60.69 -39.88 90.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.727 -1.233 . . . . 0.0 109.428 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.489 ' N ' ' HG ' ' B' ' 85' ' ' CYS . 11.5 t-20 -60.04 -40.04 88.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.413 -0.804 . . . . 0.0 110.357 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 54.0 t-20 -67.42 -38.65 84.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 110.244 -178.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.63 -26.77 64.58 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.366 -0.834 . . . . 0.0 110.339 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.91 -6.13 43.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.128 -0.982 . . . . 0.0 109.173 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -70.26 -4.68 23.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.17 -0.956 . . . . 0.0 109.367 -179.621 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.08 -39.55 86.46 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.323 -0.861 . . . . 0.0 109.386 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.148 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.735 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.94 0 N-CA-C 119.244 2.458 . . . . 0.0 119.244 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -108.3 -88.22 0.48 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -1.18 . . . . 0.0 110.097 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.53 -58.07 1.94 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.759 -0.588 . . . . 0.0 112.209 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 61.3 tp -60.25 -40.47 90.42 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.845 -1.159 . . . . 0.0 109.021 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.62 -38.64 91.87 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.048 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -62.01 -21.31 64.77 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.96 76.05 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.418 -0.801 . . . . 0.0 109.772 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.6 mtp -75.46 -39.9 58.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.949 -1.095 . . . . 0.0 110.402 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.13 -35.76 78.63 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.376 0.607 . . . . 0.0 111.318 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 t -73.57 -47.49 40.2 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.319 -0.863 . . . . 0.0 111.614 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -72.09 -26.88 62.32 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.236 -1.54 . . . . 0.0 110.429 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 12' ' ' ILE . 84.0 mt -74.98 -36.02 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.689 -1.257 . . . . 0.0 110.227 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.86 -40.73 65.44 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -33.71 57.59 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.02 -42.59 94.67 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -84.96 -9.38 58.13 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.37 27.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 110.642 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 50.7 t60 -111.55 -37.69 5.14 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.327 -0.858 . . . . 0.0 110.827 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.1 m -52.87 -30.16 32.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.164 -0.96 . . . . 0.0 110.234 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.04 12.32 52.47 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -89.39 -20.04 24.46 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.492 -1.005 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -110.55 -6.1 14.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 111.425 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.85 23.01 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.8 m-20 50.22 40.17 21.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.776 -1.426 . . . . 0.0 108.134 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -71.42 -6.85 43.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.565 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -78.74 -10.06 59.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.7 ttmp? -158.52 160.01 36.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.33 167.61 20.03 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -135.87 161.62 35.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.796 -1.19 . . . . 0.0 109.973 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.78 -39.76 85.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.291 -0.881 . . . . 0.0 110.013 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -70.72 -36.59 73.29 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.039 -1.038 . . . . 0.0 110.581 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 19' ' ' SER . 6.9 mm-40 -60.44 -50.11 74.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.285 -0.884 . . . . 0.0 111.263 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -25.58 65.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.895 -1.128 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 tptp -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 0.0 109.601 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' O ' ' CG2' ' A' ' 39' ' ' THR . 23.6 t0 -73.02 -40.08 65.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.801 -1.187 . . . . 0.0 110.485 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.22 -40.96 95.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.246 -0.909 . . . . 0.0 111.132 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' SER . 22.0 mt -75.61 -40.79 55.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.042 -1.036 . . . . 0.0 110.073 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.558 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -69.93 -20.45 63.35 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 35' ' ' ASP . 11.7 p -83.93 -57.48 3.18 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.329 -0.857 . . . . 0.0 112.47 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 15.1 mt-10 -111.02 -28.8 8.16 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.775 -1.203 . . . . 0.0 112.753 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -108.46 23.15 14.94 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.965 -1.084 . . . . 0.0 110.323 -177.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' LEU . 82.1 p -60.29 -40.46 90.56 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 110.329 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.5 t -70.02 -45.22 67.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 111.467 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.15 -67.91 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.902 -1.123 . . . . 0.0 110.042 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.23 95.66 7.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.16 89.97 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.453 -0.779 . . . . 0.0 109.924 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.06 -16.21 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.0 -69.86 0.56 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.116 -0.99 . . . . 0.0 112.318 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -50.12 72.87 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.066 -1.021 . . . . 0.0 110.458 -176.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 98.2 m-20 -93.99 76.59 4.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.154 -1.592 . . . . 0.0 109.665 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.07 27.87 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -67.63 -27.66 67.07 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -60.8 -31.84 71.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -26.3 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.928 . . . . 0.0 109.748 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -71.15 -40.08 71.56 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 120.787 -1.196 . . . . 0.0 108.26 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -68.67 -39.88 80.42 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.048 0.927 . . . . 0.0 110.055 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.82 78.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.5 mmm -72.69 -30.98 64.69 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.811 0.815 . . . . 0.0 109.822 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -59.9 -44.31 94.34 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.532 0.682 . . . . 0.0 109.704 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -69.94 -39.86 75.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 109.306 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 6.5 mp -67.72 -83.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.644 0.735 . . . . 0.0 109.652 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 37.9 t0 -75.17 55.75 0.76 Allowed 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.22 -13.11 1.15 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.272 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 66.2 t30 -77.32 -14.28 59.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.524 -0.735 . . . . 0.0 109.521 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.16 30.93 71.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 14.9 p30 -91.21 -2.56 57.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.992 -1.299 . . . . 0.0 110.338 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 69.86 1.82 34.24 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -128.38 141.71 51.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.471 -1.017 . . . . 0.0 108.426 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 71' ' ' PHE . 18.6 t -109.77 139.82 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 CA-C-O 121.724 0.773 . . . . 0.0 110.456 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.8 t70 -81.01 25.14 0.47 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.607 -0.683 . . . . 0.0 109.636 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 12.4 p90 55.05 -46.61 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 122.73 0.412 . . . . 0.0 112.058 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.614 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.0 tt0 -59.83 -37.24 78.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.215 -1.553 . . . . 0.0 108.058 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 37.2 mt-10 -60.13 -40.01 88.26 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 109.187 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.93 -49.5 65.35 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.2 -40.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.491 -1.381 . . . . 0.0 111.27 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.61 -40.12 87.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.705 -1.247 . . . . 0.0 112.292 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.14 -57.75 4.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.839 -1.163 . . . . 0.0 112.204 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.7 m -72.36 -23.99 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.162 -0.961 . . . . 0.0 111.835 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.63 60.5 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.842 -1.161 . . . . 0.0 109.514 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.97 95.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.394 -0.816 . . . . 0.0 110.988 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.506 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 60.4 tp -61.02 -40.13 92.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.8 -1.188 . . . . 0.0 110.298 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 23.2 p -64.66 -47.11 79.65 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.135 -0.978 . . . . 0.0 112.976 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -43.67 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.395 -1.441 . . . . 0.0 109.859 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -28.95 68.33 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.365 -0.834 . . . . 0.0 108.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 64.1 m -68.56 -40.14 80.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.327 -0.858 . . . . 0.0 109.549 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 82' ' ' THR . 65.1 m-80 -61.16 -39.83 91.57 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.624 -0.672 . . . . 0.0 110.654 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 46.5 t-20 -74.52 -27.22 60.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.051 -1.031 . . . . 0.0 109.409 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.89 -41.86 92.53 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.245 -0.909 . . . . 0.0 109.267 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -75.08 -28.04 60.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.179 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -65.32 -40.43 93.73 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.203 -0.936 . . . . 0.0 108.981 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.46 -40.0 92.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.258 -0.901 . . . . 0.0 108.604 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.75 -25.35 67.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.451 -0.781 . . . . 0.0 109.81 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.466 -179.685 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m -108.28 -88.82 0.47 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -1.15 . . . . 0.0 110.008 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.74 -58.03 1.95 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.727 -0.608 . . . . 0.0 112.37 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.403 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.5 tp -60.37 -40.22 90.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.98 -1.075 . . . . 0.0 109.144 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -38.32 90.64 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.702 -1.199 . . . . 0.0 107.944 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -62.33 -21.23 65.12 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.1 76.64 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.877 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 37.9 mtp -75.26 -39.97 59.31 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.078 -1.014 . . . . 0.0 110.36 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.43 -35.05 77.07 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.334 0.588 . . . . 0.0 111.269 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -74.11 -47.57 35.34 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.241 -0.912 . . . . 0.0 111.606 -177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -71.87 -27.11 62.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.358 -1.464 . . . . 0.0 110.343 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.43 HD11 HG21 ' B' ' 12' ' ' ILE . 83.1 mt -74.96 -35.66 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.625 -1.297 . . . . 0.0 110.245 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -73.58 -40.13 64.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 109.491 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -33.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' B' ' 19' ' ' SER . 78.7 t80 -60.22 -42.52 95.36 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -85.51 -8.76 58.15 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.89 -32.68 27.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.415 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 52.9 t60 -111.8 -37.02 5.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.35 -0.844 . . . . 0.0 110.773 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.8 m -53.18 -30.3 36.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.984 . . . . 0.0 110.188 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.16 13.07 52.23 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -89.87 -20.1 23.82 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.44 -1.035 . . . . 0.0 109.185 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -110.64 -6.09 14.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.611 -0.681 . . . . 0.0 111.415 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.74 22.92 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.453 -2.259 . . . . 0.0 107.453 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.4 m-20 50.08 40.42 21.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.772 -1.428 . . . . 0.0 108.212 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -71.77 -6.76 43.75 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -78.82 -9.99 59.64 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.7 ttmp? -158.41 160.03 36.41 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 tp -80.23 167.13 20.69 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.756 -1.215 . . . . 0.0 107.729 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -135.84 161.44 35.59 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.742 -1.224 . . . . 0.0 109.984 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -59.93 -39.51 85.76 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.329 -0.857 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -70.61 -36.53 73.56 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.029 -1.044 . . . . 0.0 110.466 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 19' ' ' SER . 6.7 mm-40 -60.53 -50.47 73.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 111.276 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -25.58 65.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.863 -1.148 . . . . 0.0 110.558 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.569 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.2 tptp -60.26 -40.32 89.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.982 -1.074 . . . . 0.0 109.492 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.438 ' O ' ' CG2' ' B' ' 39' ' ' THR . 22.2 t0 -72.46 -39.81 67.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.837 -1.165 . . . . 0.0 110.765 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.85 -40.73 96.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.112 -0.992 . . . . 0.0 111.02 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.5 mt -75.82 -40.87 54.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.981 -1.074 . . . . 0.0 110.19 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.569 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -69.95 -20.08 63.34 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' B' ' 35' ' ' ASP . 11.2 p -84.28 -57.36 3.2 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 112.373 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 15.9 mt-10 -110.97 -29.1 8.05 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.899 -1.125 . . . . 0.0 112.727 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.44 23.38 14.6 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.916 -1.115 . . . . 0.0 110.408 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 79.3 p -60.36 -40.14 89.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.227 -0.921 . . . . 0.0 110.335 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -70.22 -45.26 66.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 111.393 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.39 -67.94 0.64 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.952 -1.092 . . . . 0.0 109.997 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.04 95.44 6.83 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.24 90.54 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.444 -0.785 . . . . 0.0 109.697 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -105.53 -16.08 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -80.19 -69.86 0.56 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.064 -1.022 . . . . 0.0 112.122 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -50.66 70.79 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.429 -176.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 53' ' ' ALA . 97.8 m-20 -93.76 76.99 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.303 -1.498 . . . . 0.0 109.75 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.79 -21.94 32.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.96 -27.31 66.49 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.06 -31.77 71.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -25.85 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.912 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -71.11 -40.08 71.7 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.896 -1.128 . . . . 0.0 108.296 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -68.97 -40.12 79.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.229 1.014 . . . . 0.0 110.008 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -37.03 79.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 72.2 mmm -72.57 -31.1 64.98 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.806 0.812 . . . . 0.0 109.824 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -59.7 -44.49 93.65 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.399 0.619 . . . . 0.0 109.61 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.8 -40.02 76.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.418 -0.801 . . . . 0.0 109.468 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 6.5 mp -67.47 -83.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.711 . . . . 0.0 109.736 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 36.4 t0 -75.04 55.76 0.73 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.13 -13.11 1.09 Allowed 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.292 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' B' ' 62' ' ' ASP . 66.0 t30 -77.16 -14.56 59.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.524 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.33 30.69 71.39 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 15.1 p30 -90.91 -2.71 57.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.22 -1.165 . . . . 0.0 110.215 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.542 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 69.72 2.21 35.36 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -128.86 141.41 51.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.477 -1.014 . . . . 0.0 108.375 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -109.72 139.86 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.718 0.77 . . . . 0.0 110.472 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 72' ' ' GLN . 7.8 t70 -81.01 25.35 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.698 -0.626 . . . . 0.0 109.595 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 13.4 p90 54.83 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.623 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 64.0 tt0 -59.95 -37.1 78.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.175 -1.578 . . . . 0.0 107.893 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 35.6 mt-10 -60.1 -39.9 87.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -66.58 -50.0 64.5 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 3.6 p -59.24 -40.13 80.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.654 -1.279 . . . . 0.0 111.168 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.416 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 54.6 t -65.16 -40.32 88.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 120.951 -1.093 . . . . 0.0 112.052 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -69.23 -57.79 4.89 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.797 -1.189 . . . . 0.0 112.329 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.6 m -72.6 -23.72 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.176 -0.953 . . . . 0.0 111.611 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.09 -50.9 60.03 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.827 -1.171 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.02 96.0 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.304 -0.873 . . . . 0.0 111.111 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.503 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 61.7 tp -61.24 -39.85 91.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.896 -1.128 . . . . 0.0 110.278 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.3 p -64.37 -48.67 74.57 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.201 -0.937 . . . . 0.0 112.93 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -43.89 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.502 -1.374 . . . . 0.0 109.925 -178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.78 68.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.344 -0.847 . . . . 0.0 108.948 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 63.7 m -68.71 -40.23 80.09 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.547 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -60.67 -40.26 91.43 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.542 -0.724 . . . . 0.0 110.495 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 46.8 t-20 -74.57 -27.01 60.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.925 -1.109 . . . . 0.0 109.405 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.88 -41.72 92.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.234 -0.916 . . . . 0.0 109.351 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -75.25 -28.24 59.78 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.199 -0.938 . . . . 0.0 109.14 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -65.04 -40.86 95.39 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.308 -0.87 . . . . 0.0 108.963 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.22 -39.84 91.73 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.083 -1.011 . . . . 0.0 108.771 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.86 -25.14 67.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.32 -0.862 . . . . 0.0 109.754 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.909 -1.043 . . . . 0.0 109.502 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 t . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 44.0 mt-10 -60.82 -46.75 89.3 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.334 -0.854 . . . . 0.0 109.664 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -74.4 -40.07 62.27 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.25 -40.04 93.47 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 2' ' ' SER . 19.8 m -63.27 -22.0 66.59 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -70.02 -35.8 74.59 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.012 0.911 . . . . 0.0 109.505 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ttt -77.5 -37.22 51.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.438 -0.789 . . . . 0.0 110.288 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.98 -36.1 74.94 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.518 -0.739 . . . . 0.0 110.915 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.3 t -71.86 -54.21 10.82 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 111.412 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 10' ' ' THR . 0.9 OUTLIER -60.03 -29.04 68.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.257 -1.527 . . . . 0.0 109.556 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.93 -34.28 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.587 -1.321 . . . . 0.0 110.456 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.47 -46.7 53.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.114 -0.991 . . . . 0.0 110.844 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 15' ' ' PHE . 32.7 m -66.08 -32.89 60.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 56.0 t80 -61.04 -40.03 92.05 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -89.36 -4.55 58.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.99 -38.88 24.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.251 -0.905 . . . . 0.0 109.251 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 89.2 m-70 -102.32 -34.71 9.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.392 -0.817 . . . . 0.0 110.48 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -61.25 -40.0 92.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.12 -0.988 . . . . 0.0 110.645 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.07 86.12 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -80.46 -20.38 43.88 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.412 -1.052 . . . . 0.0 109.417 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -94.35 -6.57 43.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.714 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 96.0 -38.86 2.97 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.71 70.04 0.93 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' GLY . 27.3 ttmt -79.51 -11.89 59.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.813 -0.554 . . . . 0.0 110.292 -177.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -92.2 -15.36 27.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.056 -1.027 . . . . 0.0 109.972 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.94 145.6 31.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.068 -1.02 . . . . 0.0 109.154 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.47 166.86 18.98 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.9 t -137.05 167.56 21.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.966 -1.083 . . . . 0.0 110.257 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.14 84.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 111.461 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -75.73 -32.95 60.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.659 -1.276 . . . . 0.0 111.04 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 29' ' ' SER . 61.8 mt-10 -61.61 -49.96 74.51 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.068 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -65.17 -31.38 72.54 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.386 -0.821 . . . . 0.0 110.4 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -59.96 -39.96 87.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 108.823 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 19.5 t70 -68.58 -40.39 80.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.587 0.708 . . . . 0.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.64 -41.23 98.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.989 -1.069 . . . . 0.0 112.014 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -78.98 -41.75 28.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.674 -1.266 . . . . 0.0 111.493 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.547 -0.72 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -76.35 -57.96 3.56 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.139 -0.976 . . . . 0.0 111.439 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 7.6 mt-10 -110.97 -28.09 8.5 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.048 . . . . 0.0 112.446 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -108.5 28.15 8.66 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.935 -1.103 . . . . 0.0 110.755 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -60.03 -50.3 74.26 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.935 -1.103 . . . . 0.0 110.957 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -63.84 -39.96 95.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.205 -0.935 . . . . 0.0 111.809 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -76.98 -69.22 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.793 -1.192 . . . . 0.0 110.331 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.42 98.26 9.4 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -57.68 139.35 53.96 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.2 p -163.53 -52.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.885 -1.135 . . . . 0.0 110.065 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.519 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.8 pt20 -61.29 -41.91 97.75 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.83 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -71.88 -39.92 69.29 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.831 -1.168 . . . . 0.0 109.354 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -103.22 83.95 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.192 -0.942 . . . . 0.0 109.227 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.742 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.99 -24.12 64.2 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.907 -1.121 . . . . 0.0 108.726 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.03 -28.93 67.0 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.28 75.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.889 -0.507 . . . . 0.0 109.799 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 51' ' ' ALA . 10.4 p -75.83 -29.0 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.878 -1.139 . . . . 0.0 110.326 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -68.92 -42.04 77.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.794 1.283 . . . . 0.0 108.698 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.07 -40.05 86.98 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -40.03 84.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.096 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.3 -26.03 58.38 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.924 -1.11 . . . . 0.0 109.079 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.87 -43.89 90.95 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.173 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.11 -40.01 95.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.96 . . . . 0.0 108.519 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 74' ' ' PHE . 5.2 mp -71.53 -56.17 6.42 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.74 0.781 . . . . 0.0 109.103 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.5 m-20 -81.95 42.42 0.72 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.07 -22.92 4.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 62' ' ' ASP . 75.9 m-20 -79.75 -8.76 59.45 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.635 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.79 76.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 68' ' ' GLU . 43.0 p-10 -92.02 -0.05 57.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.209 -1.171 . . . . 0.0 110.959 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.04 5.13 0.56 Allowed Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.8 mt-10 -129.67 151.94 49.72 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 71' ' ' PHE . 24.2 t -122.22 150.59 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 121.451 0.643 . . . . 0.0 110.31 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.8 18.87 7.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 109.707 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 46.9 t80 62.6 -42.25 0.18 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 122.071 -0.393 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 70' ' ' ASP . 60.2 tt0 -65.53 -40.07 92.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.508 -1.37 . . . . 0.0 108.99 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 81.2 mt-10 -60.14 -40.0 88.29 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.284 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.8 t80 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -59.93 -39.81 81.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.882 -1.136 . . . . 0.0 111.402 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.23 -40.02 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.473 -1.392 . . . . 0.0 111.581 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.78 -57.47 6.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.844 -1.16 . . . . 0.0 111.419 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.7 m -70.09 -22.49 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.885 -1.135 . . . . 0.0 110.99 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -63.35 -49.03 75.48 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.77 -1.206 . . . . 0.0 109.24 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.33 75.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 112.255 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.7 -46.83 74.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.565 -1.334 . . . . 0.0 111.919 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 83' ' ' VAL . 14.3 t -69.41 -40.1 77.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.875 -1.141 . . . . 0.0 110.383 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 82' ' ' THR . 54.6 t -59.95 -41.08 84.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.876 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.87 94.3 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.643 . . . . 0.0 109.622 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -41.25 91.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.765 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.11 -40.13 88.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.685 -1.26 . . . . 0.0 109.732 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -71.65 -24.68 61.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.626 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.04 -45.33 93.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 C--N 1.304 -1.396 0 O-C-N 121.186 -0.947 . . . . 0.0 109.249 179.178 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 1.3 t . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 44.9 mt-10 -60.86 -46.71 89.51 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.363 -0.836 . . . . 0.0 109.612 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.461 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.4 tt -74.39 -40.05 62.3 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.41 -39.95 92.77 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.6 m -63.31 -21.83 66.5 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -70.01 -35.98 74.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.095 0.95 . . . . 0.0 109.632 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.38 -37.17 52.66 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.477 -0.764 . . . . 0.0 110.379 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.05 -36.34 74.92 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.541 -0.724 . . . . 0.0 110.931 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.3 t -71.85 -54.39 10.27 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.355 -0.841 . . . . 0.0 111.302 -177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -59.99 -29.06 68.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.252 -1.53 . . . . 0.0 109.446 -179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.95 -34.06 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.668 -1.27 . . . . 0.0 110.561 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -73.05 -46.37 52.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.835 -1.166 . . . . 0.0 110.8 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 15' ' ' PHE . 32.9 m -65.53 -33.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 55.8 t80 -61.0 -39.99 91.83 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -89.76 -3.45 58.16 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.84 -38.87 22.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.159 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 89.0 m-70 -102.45 -34.46 9.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.383 -0.823 . . . . 0.0 110.48 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -61.41 -39.96 92.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.15 -0.969 . . . . 0.0 110.627 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.23 -1.98 85.93 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -80.71 -20.21 43.35 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.515 -0.991 . . . . 0.0 109.319 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -94.52 -6.46 43.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 109.708 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 95.88 -38.75 3.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.74 70.01 0.94 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.9 ttmt -79.54 -11.85 59.88 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.935 -0.478 . . . . 0.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -91.97 -16.01 27.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.063 -1.023 . . . . 0.0 109.89 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 145.3 31.76 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.0 -1.063 . . . . 0.0 109.174 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.0 tp -82.16 166.89 19.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.529 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 34.8 t -136.14 168.88 18.55 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.9 -1.125 . . . . 0.0 110.257 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -40.5 89.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.61 -0.682 . . . . 0.0 111.329 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -76.01 -32.81 59.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.729 -1.232 . . . . 0.0 111.135 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' B' ' 29' ' ' SER . 61.8 mt-10 -61.54 -50.0 74.43 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.392 -0.818 . . . . 0.0 110.963 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.0 OUTLIER -65.2 -31.48 72.67 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.45 -0.781 . . . . 0.0 110.378 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.94 -40.0 87.44 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.271 -0.893 . . . . 0.0 108.793 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' B' ' 39' ' ' THR . 19.2 t70 -68.75 -39.0 80.51 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.466 0.651 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.29 -40.8 94.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.014 -1.054 . . . . 0.0 111.878 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.0 -41.86 27.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.633 -1.292 . . . . 0.0 111.522 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.01 -19.98 63.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.4 p -76.24 -58.21 3.41 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.095 -1.003 . . . . 0.0 111.465 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 7.9 mt-10 -110.9 -27.9 8.61 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.047 -1.033 . . . . 0.0 112.573 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.467 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -108.66 28.21 8.64 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.909 -1.119 . . . . 0.0 110.705 -177.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.4 t -60.05 -50.11 75.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.924 -1.11 . . . . 0.0 110.923 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.9 m -63.93 -40.08 95.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.271 -0.893 . . . . 0.0 111.756 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -77.02 -69.28 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.767 -1.208 . . . . 0.0 110.321 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -83.32 98.3 9.37 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.74 139.2 54.48 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.522 HG13 ' H ' ' B' ' 48' ' ' GLN . 2.2 p -163.53 -52.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.907 -1.121 . . . . 0.0 110.047 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.522 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.5 pt20 -61.2 -41.8 97.46 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.884 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.0 -39.64 69.09 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.363 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -103.34 83.74 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.277 -0.889 . . . . 0.0 109.287 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.756 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.09 -24.1 64.34 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.88 -1.137 . . . . 0.0 108.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.93 -29.32 67.55 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.33 76.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.756 HG12 ' O ' ' B' ' 51' ' ' ALA . 13.0 p -75.1 -29.02 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.897 -1.127 . . . . 0.0 110.435 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -69.27 -41.8 76.39 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.733 1.254 . . . . 0.0 108.59 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.31 -40.0 85.97 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -39.97 85.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.075 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ptm -75.54 -26.02 57.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.821 -1.175 . . . . 0.0 109.048 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.543 -0.723 . . . . 0.0 109.126 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 0.0 108.511 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.4 mp -71.48 -56.28 6.24 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.766 0.793 . . . . 0.0 109.146 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 94.7 m-20 -81.88 42.64 0.72 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -52.35 -22.57 4.73 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 75.9 m-20 -79.9 -8.85 59.54 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.679 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.97 77.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.8 p-10 -92.24 -0.03 57.43 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.271 -1.135 . . . . 0.0 110.917 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.8 5.44 0.57 Allowed Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.2 mt-10 -129.59 151.86 49.74 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.458 HG12 ' H ' ' B' ' 71' ' ' PHE . 23.3 t -122.2 150.51 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-O 121.426 0.631 . . . . 0.0 110.373 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.0 m-20 -91.74 18.73 7.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.51 -0.744 . . . . 0.0 109.691 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 47.0 t80 62.74 -42.55 0.18 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.961 -0.462 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' B' ' 70' ' ' ASP . 60.1 tt0 -65.39 -39.98 92.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.521 -1.362 . . . . 0.0 109.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 81.0 mt-10 -60.08 -40.03 88.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.923 -1.11 . . . . 0.0 108.339 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.678 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -61.24 -48.38 81.7 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.6 p -59.99 -39.96 81.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.786 -1.196 . . . . 0.0 111.333 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.56 -40.02 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.803 -1.186 . . . . 0.0 111.619 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.25 -57.5 5.88 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.773 -1.204 . . . . 0.0 111.435 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.678 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.8 m -70.06 -22.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.869 -1.144 . . . . 0.0 111.026 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -63.06 -49.41 74.65 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.704 -1.247 . . . . 0.0 109.206 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.42 76.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 112.221 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.73 -46.78 74.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.552 -1.343 . . . . 0.0 112.007 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.453 HG23 ' N ' ' B' ' 83' ' ' VAL . 14.2 t -69.52 -40.1 77.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.842 -1.161 . . . . 0.0 110.337 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 108.72 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.78 94.03 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.693 -0.63 . . . . 0.0 109.712 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.347 -0.845 . . . . 0.0 110.66 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.07 -40.13 88.44 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.683 -1.261 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.72 -24.5 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.212 -0.93 . . . . 0.0 109.672 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.03 -45.47 92.72 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.304 -0.872 . . . . 0.0 109.74 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--N 1.304 -1.412 0 O-C-N 121.23 -0.919 . . . . 0.0 109.295 179.186 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 6' ' ' THR . 17.5 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.296 0.57 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.63 -56.85 3.61 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.33 -0.856 . . . . 0.0 111.587 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.5 OUTLIER -60.9 -45.7 93.56 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.191 -0.943 . . . . 0.0 109.693 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 60.7 tt0 -63.15 -40.04 96.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.277 -0.89 . . . . 0.0 109.054 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 10' ' ' THR . 9.1 m -63.61 -21.07 66.16 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.53 -39.3 77.59 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.619 -0.675 . . . . 0.0 110.8 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.27 -36.52 29.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.638 -1.289 . . . . 0.0 110.401 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 64.2 mm-40 -69.9 -34.08 73.04 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.337 -0.852 . . . . 0.0 110.466 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.9 t -75.38 -45.03 41.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.392 -0.817 . . . . 0.0 112.054 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' N ' HG23 ' A' ' 10' ' ' THR . 2.8 pp -72.5 -28.33 62.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.119 -1.613 . . . . 0.0 109.221 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.99 -39.2 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.188 -0.945 . . . . 0.0 109.777 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.4 m-20 -70.04 -41.03 74.77 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.877 0.846 . . . . 0.0 110.33 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -27.74 23.14 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.5 m-85 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -85.86 -10.43 55.36 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.565 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.89 53.45 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.912 -1.117 . . . . 0.0 109.421 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.42 -21.59 14.23 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.391 -0.818 . . . . 0.0 111.446 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -67.59 -33.01 74.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.983 -1.073 . . . . 0.0 110.825 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.36 2.35 63.01 Favored Glycine 0 N--CA 1.498 2.772 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -70.05 -32.12 70.08 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.19 -7.44 42.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.636 -0.665 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.61 -15.05 64.15 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 27' ' ' LYS . 57.2 t0 -84.84 56.04 3.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.123 -1.222 . . . . 0.0 107.767 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -76.71 -7.13 54.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.948 -0.47 . . . . 0.0 110.902 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.93 -14.31 48.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.765 -1.209 . . . . 0.0 108.733 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' ASP . 16.4 ttmm -160.04 160.03 32.72 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.1 tp -83.51 163.96 20.13 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.824 -1.173 . . . . 0.0 108.115 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -136.82 167.83 20.71 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.717 -1.239 . . . . 0.0 110.822 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.97 -39.9 87.26 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.39 -0.819 . . . . 0.0 112.285 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -76.19 -29.99 57.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.43 -1.419 . . . . 0.0 110.335 -178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.32 -46.64 72.88 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.245 -0.91 . . . . 0.0 111.502 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -69.71 -35.68 75.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.274 -0.891 . . . . 0.0 110.845 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 85.7 tttt -60.11 -39.87 87.72 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.921 -1.112 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 60.1 t0 -62.21 -39.28 92.23 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.491 -0.756 . . . . 0.0 110.075 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.95 -39.15 87.19 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.332 -0.855 . . . . 0.0 111.722 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 44.3 mt -78.16 -43.18 29.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.425 -1.422 . . . . 0.0 111.472 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.73 -19.2 65.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.667 -0.645 . . . . 0.0 111.041 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 35' ' ' ASP . 5.0 t -94.99 -45.23 7.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.859 -1.151 . . . . 0.0 111.164 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 2.8 mt-10 -108.32 -34.24 6.86 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.737 -1.227 . . . . 0.0 112.859 -177.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.4 mp -112.41 26.59 10.42 Favored 'General case' 0 N--CA 1.516 2.843 0 O-C-N 121.019 -1.05 . . . . 0.0 110.747 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 t -60.02 -47.35 86.22 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 m -61.54 -40.08 93.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.145 -0.972 . . . . 0.0 111.367 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -79.8 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.81 -1.181 . . . . 0.0 109.559 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.5 mp -84.04 98.43 9.85 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.09 140.02 57.12 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 118.507 -1.277 . . . . 0.0 107.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.3 p -160.24 -53.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.118 . . . . 0.0 110.651 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.645 HE22 ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.92 -42.79 94.7 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.651 -178.091 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HG2' HE22 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -71.91 -40.23 68.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.828 -1.17 . . . . 0.0 109.216 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -106.75 85.16 2.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.998 -1.064 . . . . 0.0 109.498 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.05 -20.88 57.38 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.128 -0.982 . . . . 0.0 108.631 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 19.4 p-10 -77.25 -19.9 55.94 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.722 -1.236 . . . . 0.0 108.05 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.85 76.75 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.2 p -76.31 -27.62 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.584 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.58 -40.07 84.84 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.403 1.097 . . . . 0.0 108.124 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.91 -40.14 75.78 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.388 1.089 . . . . 0.0 110.73 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mtp -73.53 -29.98 62.8 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.867 0.841 . . . . 0.0 109.223 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -50.79 -41.64 57.26 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.479 -0.763 . . . . 0.0 109.277 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 -30.06 64.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.026 -1.046 . . . . 0.0 109.727 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.9 mp -68.53 -160.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.315 -0.866 . . . . 0.0 109.69 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.601 ' C ' ' H ' ' A' ' 64' ' ' ASN . 65.6 t0 -64.38 58.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.817 . . . . 0.0 110.561 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' LEU . 33.5 tt0 -74.24 37.35 0.1 Allowed 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' A' ' 62' ' ' ASP . 8.0 t-20 -85.85 -4.97 59.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 11.07 15.59 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 68' ' ' GLU . 45.4 t0 -70.05 -44.18 69.69 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.729 -0.865 . . . . 0.0 110.527 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.11 -7.74 9.77 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.9 mt-10 -122.98 131.37 53.68 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 t -96.14 143.61 11.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.507 -0.745 . . . . 0.0 110.01 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.0 t70 -83.73 29.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.468 -0.77 . . . . 0.0 111.3 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 61.01 -57.3 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.684 -0.635 . . . . 0.0 111.258 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 tt0 -60.04 -39.39 85.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.711 -1.243 . . . . 0.0 109.734 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.879 -1.138 . . . . 0.0 109.894 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 78' ' ' VAL . 63.4 t80 -69.89 -47.74 61.33 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.34 -0.85 . . . . 0.0 113.232 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 4.3 p -59.99 -40.01 81.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.696 -1.253 . . . . 0.0 111.285 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' B' ' 76' ' ' VAL . 72.0 t -70.01 -39.96 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.646 -1.284 . . . . 0.0 111.293 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.37 -56.65 12.96 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.224 -0.923 . . . . 0.0 110.735 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.5 m -72.35 -20.98 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.407 -0.808 . . . . 0.0 111.293 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.31 -54.55 19.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.979 -1.076 . . . . 0.0 109.757 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.96 94.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.427 -0.796 . . . . 0.0 111.203 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.39 -41.85 97.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.788 -1.195 . . . . 0.0 111.109 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -69.2 -39.24 78.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.936 -1.103 . . . . 0.0 110.548 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.13 -42.33 89.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.402 -0.812 . . . . 0.0 109.63 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.99 78.19 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.48 -0.763 . . . . 0.0 110.061 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.77 -38.83 82.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.201 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -39.2 85.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.67 -39.96 91.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.029 -1.045 . . . . 0.0 109.478 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.32 -35.23 79.68 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.392 -0.818 . . . . 0.0 109.831 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.3 -1.554 0 O-C-N 121.336 -0.852 . . . . 0.0 109.131 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.26 0.552 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -82.88 -56.53 3.76 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.244 -0.91 . . . . 0.0 111.462 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.5 OUTLIER -60.75 -46.01 92.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.263 -0.898 . . . . 0.0 109.704 -178.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 60.2 tt0 -62.91 -40.06 96.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.357 -0.84 . . . . 0.0 109.08 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.562 ' O ' HG22 ' B' ' 10' ' ' THR . 11.8 m -63.79 -21.02 66.22 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.55 -39.19 77.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.643 -0.661 . . . . 0.0 110.853 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -81.18 -37.14 29.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.591 -1.318 . . . . 0.0 110.446 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 63.1 mm-40 -69.31 -33.95 73.93 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.365 -0.835 . . . . 0.0 110.601 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.562 HG22 ' O ' ' B' ' 6' ' ' THR . 10.1 t -75.68 -45.34 37.48 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 111.931 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.519 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -72.02 -28.44 63.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.075 -1.641 . . . . 0.0 109.154 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -70.06 -38.91 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.096 -1.003 . . . . 0.0 109.923 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -70.47 -40.73 73.5 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.93 0.871 . . . . 0.0 110.475 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -27.57 23.04 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 1.5 m-85 -64.34 -39.99 94.98 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -85.75 -10.75 55.08 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.26 54.93 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 120.932 -1.105 . . . . 0.0 109.458 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -102.68 -21.7 14.07 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.449 -0.782 . . . . 0.0 111.416 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 64.1 m -67.55 -32.83 73.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.017 -1.052 . . . . 0.0 110.805 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 2.57 62.55 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -70.03 -32.13 70.11 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -94.28 -7.4 42.06 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.582 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.8 -15.2 63.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' LYS . 57.3 t0 -84.82 55.98 3.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.125 -1.221 . . . . 0.0 107.861 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.61 -7.42 55.22 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.888 -0.507 . . . . 0.0 110.772 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -84.5 -14.53 48.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.213 . . . . 0.0 108.739 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 24' ' ' ASP . 16.1 ttmm -160.19 160.01 32.3 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 28' ' ' LEU . 37.4 tp -83.34 163.84 20.39 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.77 -1.206 . . . . 0.0 108.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -136.41 168.13 20.02 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.737 -1.227 . . . . 0.0 110.679 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.355 -0.841 . . . . 0.0 112.329 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -76.25 -29.94 57.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.487 -1.383 . . . . 0.0 110.432 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.37 -46.77 72.38 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.321 -0.862 . . . . 0.0 111.485 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.1 pp -69.65 -35.47 75.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 110.939 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.06 -40.05 88.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.98 -1.075 . . . . 0.0 109.352 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.731 ' O ' HG22 ' B' ' 39' ' ' THR . 60.7 t0 -62.86 -37.4 86.7 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.474 -0.766 . . . . 0.0 110.354 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.34 -38.94 81.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 111.742 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 42' ' ' SER . 40.0 mt -78.4 -43.34 27.71 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.416 -1.428 . . . . 0.0 111.42 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -65.19 -19.86 66.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.619 -0.676 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.731 HG22 ' O ' ' B' ' 35' ' ' ASP . 5.0 t -94.54 -45.02 7.58 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.775 -1.203 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 2.8 mt-10 -108.35 -34.58 6.76 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.659 -1.276 . . . . 0.0 112.867 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.5 mp -112.18 26.66 10.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.037 -1.039 . . . . 0.0 110.716 -177.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' B' ' 37' ' ' LEU . 14.3 t -59.92 -47.62 85.03 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.344 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -61.53 -40.0 93.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.252 -0.905 . . . . 0.0 111.523 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.81 -69.67 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.743 -1.223 . . . . 0.0 109.502 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.8 mp -84.35 98.21 9.89 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.97 139.93 57.09 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.613 -1.235 . . . . 0.0 107.884 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.482 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.4 p -160.37 -53.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.92 -1.113 . . . . 0.0 110.646 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.65 HE22 ' HG2' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.0 -42.59 94.59 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.879 -1.128 . . . . 0.0 109.617 -178.034 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.65 ' HG2' HE22 ' B' ' 48' ' ' GLN . 0.0 OUTLIER -72.11 -39.97 68.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.766 -1.208 . . . . 0.0 109.14 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -106.77 84.91 2.07 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.011 -1.056 . . . . 0.0 109.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.582 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.09 -20.51 54.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.12 -0.988 . . . . 0.0 108.694 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -77.59 -19.95 54.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.714 -1.241 . . . . 0.0 108.015 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.76 76.58 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.582 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.2 p -76.3 -27.43 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.509 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -67.92 -40.1 83.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.413 1.101 . . . . 0.0 108.11 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.92 -40.08 75.78 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.347 1.07 . . . . 0.0 110.74 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -39.97 84.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtp -73.47 -29.88 62.81 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.861 . . . . 0.0 109.356 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -50.77 -41.82 57.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.554 -0.717 . . . . 0.0 109.24 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -72.11 -30.17 64.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.021 . . . . 0.0 109.881 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.7 mp -68.5 -160.43 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.28 -0.887 . . . . 0.0 109.55 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 64' ' ' ASN . 65.4 t0 -64.46 57.97 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 0.0 110.534 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 32.8 tt0 -74.3 37.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' B' ' 62' ' ' ASP . 7.9 t-20 -86.0 -4.94 59.28 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 10.88 16.0 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.7 t0 -70.0 -44.42 69.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.786 -0.832 . . . . 0.0 110.579 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 -8.12 10.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 106.793 -2.523 . . . . 0.0 106.793 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.4 mt-10 -122.69 131.48 53.81 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 t -96.3 143.74 11.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.519 -0.738 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' B' ' 72' ' ' GLN . 8.0 t70 -84.15 30.27 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 111.29 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 60.9 -57.24 0.09 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.736 -0.602 . . . . 0.0 111.319 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.7 tt0 -60.03 -39.56 86.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.696 -1.253 . . . . 0.0 109.77 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.871 -1.143 . . . . 0.0 109.98 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.813 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.9 t80 -69.84 -47.7 61.72 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.4 p -60.1 -39.91 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.114 -176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' A' ' 76' ' ' VAL . 74.2 t -69.82 -40.0 78.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.088 -1.008 . . . . 0.0 111.176 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.78 -56.67 12.14 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.087 -1.008 . . . . 0.0 110.873 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.813 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -72.32 -20.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.46 -0.775 . . . . 0.0 111.187 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.46 -54.58 19.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.067 -1.021 . . . . 0.0 109.842 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.1 95.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 111.103 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.72 -42.36 97.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.811 -1.18 . . . . 0.0 111.114 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -68.86 -39.65 79.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.879 -1.138 . . . . 0.0 110.445 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.86 -42.17 88.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.514 -0.741 . . . . 0.0 109.588 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.98 78.26 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.78 -38.95 83.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.898 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.01 -39.15 84.82 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.507 -0.745 . . . . 0.0 110.224 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.75 -40.04 91.67 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.892 -1.13 . . . . 0.0 109.464 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.19 -35.24 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.399 -0.813 . . . . 0.0 109.868 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 0.0 109.112 -179.431 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 6' ' ' THR . 70.6 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' B' ' 41' ' ' LEU . 59.4 tp -69.95 -40.04 75.67 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.32 -40.01 89.65 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.726 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.62 ' O ' HG22 ' A' ' 10' ' ' THR . 18.1 m -66.68 -21.03 66.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.22 -39.6 78.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.361 0.6 . . . . 0.0 110.593 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 8' ' ' MET . 1.2 mpt? -81.82 -39.14 24.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.595 -1.316 . . . . 0.0 110.522 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 78.5 mm-40 -69.64 -28.13 65.64 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 120.918 -1.114 . . . . 0.0 110.907 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 6' ' ' THR . 9.6 t -80.15 -47.66 14.39 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.464 -0.772 . . . . 0.0 111.852 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -68.32 -27.95 66.73 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 117.864 -1.534 . . . . 0.0 108.589 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 8' ' ' MET . 6.0 mm -70.04 -40.07 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 121.593 0.711 . . . . 0.0 110.27 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 12.6 m120 -67.05 -39.95 87.03 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.976 0.893 . . . . 0.0 109.778 -178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -28.5 20.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -89.93 -10.0 46.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.04 56.59 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 119.151 -1.02 . . . . 0.0 109.043 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -101.27 -38.57 8.02 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.477 -0.764 . . . . 0.0 111.213 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -60.11 -35.88 76.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.042 -1.036 . . . . 0.0 110.44 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.74 6.71 77.22 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -84.49 -25.39 28.91 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.619 -0.93 . . . . 0.0 109.629 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -96.77 -7.02 34.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.437 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.08 -25.59 26.31 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.33 61.72 2.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.14 -15.12 57.78 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.456 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -83.24 -14.72 52.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.871 -1.143 . . . . 0.0 109.172 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.61 153.7 33.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.231 -0.918 . . . . 0.0 109.702 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -82.66 165.79 19.7 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.6 m -133.58 162.86 30.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.983 -1.073 . . . . 0.0 110.094 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.72 -39.97 86.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.288 -0.882 . . . . 0.0 110.922 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -78.18 -32.02 49.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.606 -1.309 . . . . 0.0 110.449 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.49 -47.07 87.31 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.138 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.6 pp -69.48 -31.82 70.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' LEU . 58.5 tttm -65.26 -32.53 74.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.081 -1.012 . . . . 0.0 109.683 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 39' ' ' THR . 11.6 t70 -67.88 -40.03 83.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.358 -0.839 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.71 -40.08 84.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.18 -0.95 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.6 -43.87 58.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.741 -1.225 . . . . 0.0 111.622 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.31 -21.67 63.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.323 -0.861 . . . . 0.0 109.485 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.0 p -80.01 -52.33 7.96 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.24 -0.912 . . . . 0.0 111.456 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 41' ' ' LEU . 22.6 mm-40 -113.65 -27.36 7.87 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.052 -1.03 . . . . 0.0 113.252 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 40' ' ' GLU . 6.2 mp -110.65 23.97 13.54 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 120.867 -1.145 . . . . 0.0 110.972 -177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.7 p -59.97 -37.98 81.18 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.037 -1.039 . . . . 0.0 110.26 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 t -68.9 -41.35 78.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.058 -1.026 . . . . 0.0 111.171 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.97 -70.01 0.55 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.686 -1.259 . . . . 0.0 110.404 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.1 mp -81.65 93.66 6.8 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 32.0 p-10 -58.03 92.46 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.4 p -106.35 -18.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.452 -0.78 . . . . 0.0 109.974 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.31 -57.74 2.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 111.643 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.94 -49.36 77.97 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.952 -177.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 92.3 m-20 -95.28 78.4 3.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.345 -1.472 . . . . 0.0 109.665 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.95 -19.67 19.33 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -67.76 -34.88 77.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.643 -0.661 . . . . 0.0 109.313 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.0 p -78.23 -29.05 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.339 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -65.46 -39.89 92.55 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.547 1.165 . . . . 0.0 108.176 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.93 -40.02 75.76 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.655 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.673 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -177.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.0 ppp? -83.04 -25.69 31.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.586 -1.321 . . . . 0.0 110.46 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -35.47 75.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.6 mp -80.58 -69.94 0.56 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.706 0.765 . . . . 0.0 110.332 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 92.7 m-20 -69.17 44.62 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.749 -0.594 . . . . 0.0 110.224 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' LEU . 58.2 mm-40 -57.66 -18.13 18.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -80.04 -3.21 47.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.79 32.7 85.09 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.9 p-10 -90.05 -0.07 57.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.008 -1.29 . . . . 0.0 110.606 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.21 4.35 0.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -128.55 139.66 52.18 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.95 147.37 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 CA-C-O 121.57 0.7 . . . . 0.0 110.296 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 84.7 m-20 -81.77 8.23 10.62 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.564 -0.71 . . . . 0.0 111.354 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 18.0 t80 82.01 -60.63 0.19 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.799 -0.563 . . . . 0.0 111.235 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.96 -36.89 78.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.036 -1.04 . . . . 0.0 110.179 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -60.03 -39.91 87.5 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.905 -1.122 . . . . 0.0 108.592 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 78' ' ' VAL . 64.7 t80 -68.98 -40.11 79.01 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 112.772 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.1 p -60.02 -40.14 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.204 -1.56 . . . . 0.0 110.201 -177.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.02 -39.69 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 110.388 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG13 ' A' ' 57' ' ' ILE . 26.4 tp -59.93 -56.8 17.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.445 -0.784 . . . . 0.0 112.483 -176.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 74' ' ' PHE . 10.1 m -79.94 -20.46 12.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.815 . . . . 0.0 111.159 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.45 -46.78 72.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.828 -1.17 . . . . 0.0 109.363 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.92 -40.04 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.018 -1.051 . . . . 0.0 110.943 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.99 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.998 -1.064 . . . . 0.0 110.9 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.9 m -61.47 -40.09 93.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.396 -0.815 . . . . 0.0 110.924 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.96 -42.96 91.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.411 -0.806 . . . . 0.0 109.553 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.34 85.18 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.563 -0.711 . . . . 0.0 109.883 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.79 . . . . 0.0 110.185 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.77 -38.62 78.89 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.12 -20.67 55.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.903 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.03 -42.22 93.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.046 -1.034 . . . . 0.0 110.332 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.127 -0.983 . . . . 0.0 109.659 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.468 ' O ' ' N ' ' B' ' 6' ' ' THR . 70.7 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' B' ' 3' ' ' GLU . 75.2 mt-10 -60.11 -49.28 78.29 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' A' ' 41' ' ' LEU . 59.0 tp -69.91 -40.06 75.8 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.33 -39.91 89.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.614 ' O ' HG22 ' B' ' 10' ' ' THR . 18.7 m -66.6 -21.18 66.13 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.21 -39.47 78.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.683 -0.636 . . . . 0.0 110.639 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 8' ' ' MET . 1.2 mpt? -81.83 -39.27 24.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.688 -1.258 . . . . 0.0 110.426 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 78.4 mm-40 -69.48 -28.32 65.98 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.942 -1.099 . . . . 0.0 110.95 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.614 HG22 ' O ' ' B' ' 6' ' ' THR . 9.6 t -79.96 -47.61 14.71 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.499 -0.751 . . . . 0.0 111.923 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.581 ' N ' HG23 ' B' ' 10' ' ' THR . 2.8 pp -68.56 -27.76 66.36 Favored 'General case' 0 C--O 1.201 -1.447 0 C-N-CA 117.962 -1.495 . . . . 0.0 108.445 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' B' ' 8' ' ' MET . 5.6 mm -70.46 -39.68 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.645 -0.659 . . . . 0.0 110.28 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 12.9 m120 -67.5 -39.98 85.19 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.969 0.89 . . . . 0.0 109.705 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -28.47 21.4 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -33.55 74.32 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -89.62 -10.2 46.86 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.51 59.81 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.137 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -101.07 -38.63 8.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.553 -0.717 . . . . 0.0 111.272 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.3 t -60.01 -36.03 76.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.006 -1.059 . . . . 0.0 110.389 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.71 6.72 77.31 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.4 -25.31 29.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.505 -0.997 . . . . 0.0 109.64 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.75 -7.0 34.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.292 -0.88 . . . . 0.0 110.452 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.01 -25.47 26.76 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.3 61.59 2.79 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.01 -15.11 57.89 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -83.22 -14.74 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.875 -1.14 . . . . 0.0 109.123 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.76 153.55 33.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.7 tp -82.48 165.77 19.91 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.5 m -133.23 163.56 29.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.844 -1.16 . . . . 0.0 110.019 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.428 -0.795 . . . . 0.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -78.23 -32.37 49.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.707 -1.246 . . . . 0.0 110.467 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.22 -47.1 87.63 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.356 -0.84 . . . . 0.0 110.151 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.5 pp -69.59 -31.77 70.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.426 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.1 tttm -65.23 -32.35 73.98 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.016 -1.053 . . . . 0.0 109.615 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.574 ' O ' HG23 ' B' ' 39' ' ' THR . 11.9 t70 -68.59 -38.71 80.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.345 -0.847 . . . . 0.0 110.317 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.59 -40.0 80.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 111.22 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -74.05 -43.67 56.97 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 111.507 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.19 -21.91 63.93 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.345 -0.847 . . . . 0.0 109.374 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.91 -52.32 8.02 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.537 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' HB2' HD12 ' B' ' 41' ' ' LEU . 23.3 mm-40 -113.49 -27.32 7.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.087 -1.008 . . . . 0.0 113.154 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.2 mp -110.7 24.04 13.45 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 120.822 -1.173 . . . . 0.0 111.019 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 p -60.05 -38.07 81.69 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.045 -1.035 . . . . 0.0 110.154 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -68.45 -41.69 79.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.148 -0.97 . . . . 0.0 111.23 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -79.98 -69.99 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 110.442 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.434 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.2 mp -81.56 93.6 6.73 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 31.8 p-10 -58.02 92.73 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 109.594 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.4 p -106.59 -18.07 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.467 -0.771 . . . . 0.0 109.862 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.21 -57.86 2.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.905 -1.122 . . . . 0.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.497 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.95 -49.27 78.34 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.043 -177.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.0 m-20 -95.38 78.05 3.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.351 -1.468 . . . . 0.0 109.779 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.55 -19.77 17.35 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -74.87 -21.54 59.18 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -67.4 -35.4 79.23 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' B' ' 51' ' ' ALA . 2.9 p -78.2 -28.57 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.469 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.57 -39.91 92.18 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.573 1.178 . . . . 0.0 108.161 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.14 -39.96 75.09 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.519 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.68 HG13 HD21 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -64.59 -39.98 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.914 -0.491 . . . . 0.0 110.454 -177.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.0 ppp? -82.96 -25.73 32.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.548 -1.345 . . . . 0.0 110.408 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.93 -40.62 89.52 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -35.76 75.72 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 2.3 mp -80.46 -70.1 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.715 0.769 . . . . 0.0 110.207 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 92.4 m-20 -68.74 44.46 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.751 -0.593 . . . . 0.0 110.342 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' B' ' 61' ' ' LEU . 58.4 mm-40 -57.62 -18.23 18.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.97 -3.57 48.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.16 32.77 85.01 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.9 p-10 -90.15 -0.43 57.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.082 -1.246 . . . . 0.0 110.469 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.44 4.3 0.35 Allowed Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.3 mt-10 -128.41 139.52 52.32 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.94 147.31 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.634 0.731 . . . . 0.0 110.169 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 84.5 m-20 -81.81 8.19 10.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.73 . . . . 0.0 111.386 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' B' ' 70' ' ' ASP . 18.0 t80 82.16 -60.49 0.18 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.787 -0.571 . . . . 0.0 111.207 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.01 -37.06 78.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 110.115 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.912 -1.117 . . . . 0.0 108.562 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.5 t80 -68.99 -40.1 78.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.561 -0.712 . . . . 0.0 112.843 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -60.05 -40.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.097 -1.627 . . . . 0.0 110.136 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.99 -39.92 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.007 -1.058 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.68 HD21 HG13 ' B' ' 57' ' ' ILE . 26.2 tp -59.9 -56.81 17.1 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.404 -0.81 . . . . 0.0 112.619 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' B' ' 74' ' ' PHE . 7.4 m -79.98 -20.38 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 111.057 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.57 -46.63 72.1 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.816 -1.177 . . . . 0.0 109.31 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.017 . . . . 0.0 110.961 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.02 -49.98 75.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.017 -1.052 . . . . 0.0 110.799 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -61.59 -39.97 93.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.329 -0.857 . . . . 0.0 110.805 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -59.99 -42.89 91.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 O-C-N 121.379 -0.826 . . . . 0.0 109.567 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.21 85.06 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -59.94 -39.94 87.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.598 -0.689 . . . . 0.0 110.304 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.87 -38.77 79.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.845 -1.159 . . . . 0.0 108.476 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.0 -20.73 55.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.11 -42.16 94.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.0 110.19 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.139 -0.975 . . . . 0.0 109.728 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 121.411 0.624 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' HG1' ' B' ' 10' ' ' THR . 72.2 mt-10 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.783 . . . . 0.0 109.542 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -71.09 -39.47 72.11 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.73 -40.06 96.02 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.604 0.716 . . . . 0.0 109.077 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 10' ' ' THR . 16.4 m -64.53 -21.94 66.83 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.23 -35.07 75.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.49 -0.756 . . . . 0.0 110.257 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 mtm -79.72 -34.81 39.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.338 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.74 -37.91 76.65 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.524 -0.735 . . . . 0.0 110.547 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.5 t -73.05 -53.15 11.83 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.576 -0.703 . . . . 0.0 111.871 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.598 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -63.3 -31.08 72.14 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 120.521 -1.362 . . . . 0.0 109.46 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.92 -31.97 49.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 120.526 -1.359 . . . . 0.0 109.519 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -70.98 -44.66 65.5 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.531 -0.731 . . . . 0.0 110.691 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 m -70.96 -28.61 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.43 -41.43 96.58 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.734 0.778 . . . . 0.0 109.095 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -89.54 -9.17 50.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.43 -40.01 64.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.213 -0.929 . . . . 0.0 108.729 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.964 ' CE1' HD11 ' A' ' 36' ' ' LEU . 5.9 p-80 -98.2 -43.12 7.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.549 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 72.6 m -55.34 -27.88 50.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 108.967 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.38 85.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -68.53 -40.09 80.88 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -109.95 93.25 4.4 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.04 -12.68 67.74 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -60.13 -48.92 79.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.964 -1.315 . . . . 0.0 108.041 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -82.25 127.84 33.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 61.8 t80 -94.37 48.58 1.24 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.97 165.94 26.76 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 29' ' ' SER . 42.3 tp -80.87 167.12 20.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.753 -1.217 . . . . 0.0 107.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.2 t -136.95 165.33 26.24 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.971 -1.081 . . . . 0.0 110.329 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -59.28 -39.98 84.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.711 . . . . 0.0 111.183 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -74.5 -32.78 62.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.757 -1.214 . . . . 0.0 110.493 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 41.2 mt-10 -60.84 -53.8 52.88 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.821 0.819 . . . . 0.0 110.558 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -33.12 74.67 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.143 -0.973 . . . . 0.0 110.807 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.6 -39.9 95.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.921 -1.112 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 26.8 t0 -61.7 -41.15 97.2 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 110.399 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 ' CE1' ' A' ' 18' ' ' HIS . 78.4 mt -63.03 -40.0 96.41 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 112.079 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 45' ' ' LEU . 79.6 mt -77.4 -40.89 42.06 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.813 -1.179 . . . . 0.0 111.229 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HB2' HE21 ' A' ' 48' ' ' GLN . 14.2 pt20 -72.74 -19.99 61.28 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 109.29 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.2 p -77.56 -58.47 3.25 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.289 -0.882 . . . . 0.0 111.136 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 12.3 mt-10 -110.67 -28.9 8.24 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.04 -1.037 . . . . 0.0 112.342 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -110.28 29.42 7.69 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 120.802 -1.186 . . . . 0.0 110.801 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -59.94 -46.96 87.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.931 -1.105 . . . . 0.0 110.682 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.0 t -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 111.47 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.724 -1.235 . . . . 0.0 110.309 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' O ' HG12 ' A' ' 47' ' ' VAL . 77.4 mt -82.34 95.39 7.6 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.03 140.07 57.04 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.469 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -162.37 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.0 -1.063 . . . . 0.0 109.991 -178.546 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.696 ' H ' HG13 ' A' ' 47' ' ' VAL . 2.4 pt20 -43.53 -40.46 3.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.666 -0.646 . . . . 0.0 110.557 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.14 -42.67 65.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.88 -1.137 . . . . 0.0 109.348 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -103.52 87.13 2.77 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.072 -1.017 . . . . 0.0 108.855 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -61.03 -24.45 66.19 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.263 -0.898 . . . . 0.0 108.973 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.6 -23.04 61.65 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.428 -1.42 . . . . 0.0 107.79 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.17 85.2 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.1 p -70.09 -29.53 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.359 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -66.28 -38.59 88.16 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 122.426 1.108 . . . . 0.0 108.545 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -39.01 83.48 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.769 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 pt -80.06 -29.06 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.079 -1.013 . . . . 0.0 111.444 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.494 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -80.5 -27.07 37.83 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.474 -1.391 . . . . 0.0 108.462 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' SD ' ' A' ' 58' ' ' MET . 29.3 ttmt -65.72 -46.76 77.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.56 -0.713 . . . . 0.0 109.709 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -60.06 -40.04 88.11 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -74.15 -58.51 3.25 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.651 0.739 . . . . 0.0 109.315 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 94.7 m-20 -82.46 25.4 0.63 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LYS . 18.0 pt-20 -50.64 -19.02 0.8 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.225 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -74.49 4.8 5.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 110.776 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.63 43.09 19.89 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 68' ' ' GLU . 18.7 p-10 -141.68 95.97 2.9 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.82 26.34 0.01 OUTLIER Glycine 0 N--CA 1.507 3.385 0 O-C-N 121.879 -0.513 . . . . 0.0 111.998 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 66' ' ' ASP . 95.9 mt-10 -128.81 128.31 43.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 71' ' ' PHE . 46.7 t -95.8 154.21 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.19 -0.944 . . . . 0.0 110.939 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 39.5 t0 -95.77 16.26 17.97 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.356 -0.84 . . . . 0.0 112.316 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 2.4 m-85 81.8 -63.94 0.15 Allowed 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.229 -0.92 . . . . 0.0 112.112 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.07 -39.42 85.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.943 -1.098 . . . . 0.0 110.334 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.08 -40.06 88.24 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.678 -1.264 . . . . 0.0 109.523 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 78' ' ' VAL . 90.3 t80 -68.44 -50.84 49.68 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.0 -38.58 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 O-C-N 120.817 -1.177 . . . . 0.0 111.254 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 76' ' ' VAL . 54.1 t -65.33 -40.01 87.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.56 -1.337 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.24 -58.48 4.35 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.002 -1.061 . . . . 0.0 112.574 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.05 -23.81 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.379 -0.826 . . . . 0.0 111.019 -178.175 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.46 72.58 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.003 -1.06 . . . . 0.0 110.377 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.3 81.82 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.213 -0.93 . . . . 0.0 111.168 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.45 -39.84 85.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.666 -1.271 . . . . 0.0 110.473 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' VAL . 66.9 p -69.83 -46.59 65.29 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.917 -1.114 . . . . 0.0 111.966 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.6 p -62.77 -40.0 86.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 120.521 -1.362 . . . . 0.0 109.098 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.46 -39.95 92.75 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.684 -0.635 . . . . 0.0 110.914 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 14.9 p -66.04 -40.09 90.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.913 -1.117 . . . . 0.0 110.346 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.9 t-20 -59.96 -40.11 87.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.875 -1.141 . . . . 0.0 109.472 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.74 -27.27 63.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.375 -0.828 . . . . 0.0 109.397 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.98 -44.26 94.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.393 -0.817 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.211 179.416 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 121.498 0.666 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.511 ' C ' ' HG1' ' A' ' 10' ' ' THR . 70.5 mt-10 -59.98 -50.05 75.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.401 -0.812 . . . . 0.0 109.509 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.474 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -71.0 -39.5 72.38 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.776 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.76 -40.05 96.07 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.523 ' O ' HG22 ' B' ' 10' ' ' THR . 16.4 m -64.54 -21.89 66.81 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.98 -34.99 76.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.545 -0.722 . . . . 0.0 110.414 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -80.41 -34.64 36.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.028 -1.045 . . . . 0.0 110.367 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.55 -38.2 77.35 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.606 0.717 . . . . 0.0 110.432 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.593 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.4 t -73.07 -53.39 11.22 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.572 -0.705 . . . . 0.0 111.81 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.593 ' N ' HG23 ' B' ' 10' ' ' THR . 2.9 pp -62.98 -31.08 72.13 Favored 'General case' 0 C--O 1.198 -1.609 0 O-C-N 120.428 -1.42 . . . . 0.0 109.436 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.0 -31.7 48.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 120.452 -1.405 . . . . 0.0 109.663 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -71.58 -44.25 64.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.0 110.807 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -70.61 -29.09 36.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 10.1 t80 -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.731 0.777 . . . . 0.0 109.138 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.74 -8.59 51.91 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.97 63.74 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.3 -0.875 . . . . 0.0 108.742 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.958 ' CE1' HD11 ' B' ' 36' ' ' LEU . 5.9 p-80 -98.31 -43.05 7.1 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.212 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 73.8 m -55.38 -27.85 50.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.366 -0.834 . . . . 0.0 109.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.34 85.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -68.65 -40.01 80.44 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -109.94 93.34 4.45 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.98 -12.87 67.54 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.01 -49.11 78.96 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.943 -1.328 . . . . 0.0 108.113 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 127.57 33.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.121 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 62.8 t80 -94.0 47.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.87 165.28 27.93 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' B' ' 29' ' ' SER . 42.6 tp -80.26 167.01 20.82 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.724 -1.235 . . . . 0.0 108.016 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 19.3 t -136.22 166.42 23.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.298 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.0 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.784 -0.573 . . . . 0.0 111.334 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -74.61 -32.95 62.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.909 -1.119 . . . . 0.0 110.565 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 29' ' ' SER . 41.6 mt-10 -60.69 -54.0 50.65 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.815 0.817 . . . . 0.0 110.524 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -62.59 -33.66 75.43 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 110.856 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.11 -40.04 94.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.801 -1.187 . . . . 0.0 110.44 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.617 ' O ' HG23 ' B' ' 39' ' ' THR . 26.4 t0 -61.97 -40.02 94.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.641 0.734 . . . . 0.0 110.669 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.958 HD11 ' CE1' ' B' ' 18' ' ' HIS . 76.5 mt -64.04 -40.03 95.4 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.994 -177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.32 -41.01 42.22 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.832 -1.168 . . . . 0.0 111.252 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.406 ' HB2' HE21 ' B' ' 48' ' ' GLN . 14.2 pt20 -72.51 -20.01 61.43 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.312 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.617 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -77.47 -58.75 3.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.264 -0.898 . . . . 0.0 111.123 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.6 mt-10 -110.56 -28.86 8.3 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.953 -1.092 . . . . 0.0 112.291 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.493 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -110.1 29.32 7.76 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.921 -1.112 . . . . 0.0 110.859 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t -59.99 -46.85 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.897 -1.127 . . . . 0.0 110.578 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.1 t -64.71 -40.01 94.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.247 -0.908 . . . . 0.0 111.479 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.858 -1.151 . . . . 0.0 110.326 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.472 ' O ' HG12 ' B' ' 47' ' ' VAL . 77.4 mt -82.38 95.34 7.61 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.0 140.0 57.06 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.473 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.694 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -162.35 -68.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.018 . . . . 0.0 110.074 -178.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.694 ' H ' HG13 ' B' ' 47' ' ' VAL . 2.1 pt20 -43.95 -40.48 4.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.548 -0.72 . . . . 0.0 110.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -71.95 -42.21 66.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.857 -1.152 . . . . 0.0 109.407 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -103.77 86.68 2.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.191 -0.943 . . . . 0.0 108.947 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -61.06 -24.42 66.2 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.961 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -71.41 -23.48 61.88 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.462 -1.399 . . . . 0.0 107.813 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.6 p -69.44 -29.42 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.351 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -66.53 -38.35 86.98 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 122.52 1.152 . . . . 0.0 108.447 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -40.0 84.62 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.656 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pt -79.82 -28.39 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.883 -1.136 . . . . 0.0 111.538 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -80.59 -26.99 37.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.405 -1.435 . . . . 0.0 108.43 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.446 ' N ' ' SD ' ' B' ' 58' ' ' MET . 28.6 ttmt -66.07 -46.36 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.701 . . . . 0.0 109.608 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.2 -40.01 88.55 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -74.25 -58.4 3.32 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.636 0.731 . . . . 0.0 109.277 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 94.7 m-20 -82.59 25.48 0.64 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.554 -0.717 . . . . 0.0 109.118 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -50.88 -18.36 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.278 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' B' ' 62' ' ' ASP . 23.4 t-20 -74.91 4.66 6.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.425 -0.797 . . . . 0.0 110.668 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.97 19.61 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.6 p-10 -141.71 96.06 2.91 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.91 26.45 0.01 OUTLIER Glycine 0 N--CA 1.507 3.392 0 O-C-N 121.894 -0.504 . . . . 0.0 112.003 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.67 ' N ' ' O ' ' B' ' 66' ' ' ASP . 95.9 mt-10 -128.92 128.01 42.92 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 71' ' ' PHE . 46.4 t -95.58 154.4 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.247 -0.908 . . . . 0.0 110.977 -177.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 38.7 t0 -95.81 16.11 18.45 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.299 -0.876 . . . . 0.0 112.258 -177.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 2.4 m-85 81.99 -64.05 0.14 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.118 -0.989 . . . . 0.0 112.016 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.95 -39.7 86.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.897 -1.127 . . . . 0.0 110.264 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -59.96 -40.06 87.73 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.707 -1.245 . . . . 0.0 109.534 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.489 ' O ' HG22 ' B' ' 78' ' ' VAL . 90.5 t80 -68.49 -50.87 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.406 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.2 p -59.95 -39.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 120.795 -1.191 . . . . 0.0 111.073 -176.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 76' ' ' VAL . 53.6 t -64.3 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 120.796 -1.19 . . . . 0.0 111.108 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.77 -58.49 4.13 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.891 -1.131 . . . . 0.0 112.588 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -70.07 -23.61 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.442 -0.786 . . . . 0.0 111.041 -178.022 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.1 -43.2 71.55 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.116 -0.99 . . . . 0.0 110.276 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.127 -0.983 . . . . 0.0 111.056 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.842 -1.161 . . . . 0.0 110.657 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' O ' ' B' ' 78' ' ' VAL . 78.6 p -69.64 -47.17 64.32 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.887 -1.133 . . . . 0.0 111.831 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.4 p -62.12 -39.98 85.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.413 -1.43 . . . . 0.0 109.232 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.52 -40.1 93.42 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.541 -0.724 . . . . 0.0 110.847 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 14.7 p -65.81 -40.08 91.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.86 -1.15 . . . . 0.0 110.336 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.505 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 28.9 t-20 -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.069 -1.019 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.72 -27.39 63.94 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.348 -0.845 . . . . 0.0 109.416 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.91 -44.34 94.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.387 -0.821 . . . . 0.0 109.817 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 109.21 179.436 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 10' ' ' THR . 34.2 tt0 -59.65 -50.15 74.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.9 OUTLIER -72.32 -39.73 67.99 Favored 'General case' 0 C--N 1.285 -2.22 0 O-C-N 120.654 -1.278 . . . . 0.0 108.508 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.17 -40.19 89.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 10' ' ' THR . 20.4 m -60.75 -22.95 64.58 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -68.94 -35.12 76.42 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' HD21 ' B' ' 41' ' ' LEU . 68.8 mtp -74.57 -37.59 62.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.78 -1.2 . . . . 0.0 109.573 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 94.7 mt-10 -68.17 -38.99 82.68 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.71 0.767 . . . . 0.0 111.374 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.8 t -73.71 -51.76 15.5 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 10' ' ' THR . 2.5 pp -69.3 -25.75 64.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.135 -1.603 . . . . 0.0 108.833 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.63 -28.78 22.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.045 -1.035 . . . . 0.0 108.999 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 96.2 m-20 -73.05 -40.42 65.12 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.735 0.779 . . . . 0.0 109.402 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 36' ' ' LEU . 1.2 t -70.42 -34.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.613 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 37.6 t80 -60.33 -42.13 94.99 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -85.58 -9.26 57.59 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.71 -38.08 48.1 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.939 -1.101 . . . . 0.0 109.917 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.403 ' ND1' HD21 ' A' ' 36' ' ' LEU . 78.7 m80 -103.53 -37.7 7.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.279 -0.888 . . . . 0.0 110.858 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -56.45 -28.45 59.61 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.175 -0.953 . . . . 0.0 110.406 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.43 0.06 61.4 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.55 -31.35 63.59 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.534 -0.98 . . . . 0.0 109.543 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -95.03 -5.91 43.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.0 111.632 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.89 -11.38 70.73 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' TYR . 99.6 m-20 -84.43 25.12 0.91 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 23' ' ' GLY . 25.3 ttmt -42.88 -13.21 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.206 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' N ' ' O ' ' A' ' 24' ' ' ASP . 94.4 m-85 -90.1 -15.55 31.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.607 -1.308 . . . . 0.0 109.416 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -148.68 150.2 32.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.017 -1.052 . . . . 0.0 109.943 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.4 165.68 19.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.08 -1.013 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -136.49 164.5 28.03 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.732 -1.23 . . . . 0.0 110.504 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.96 -39.95 87.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.512 -0.742 . . . . 0.0 111.325 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 10.5 tmtt? -77.0 -32.13 56.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.647 -1.283 . . . . 0.0 110.421 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.73 -49.99 74.21 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.768 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -70.66 -33.81 71.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 111.451 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 50.0 tttm -60.37 -37.35 80.47 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 120.805 -1.185 . . . . 0.0 109.078 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 39' ' ' THR . 70.1 m-20 -66.41 -39.82 89.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 110.116 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 14' ' ' VAL . 72.2 mt -61.45 -40.18 93.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.102 -0.999 . . . . 0.0 110.571 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 42' ' ' SER . 21.6 mt -73.51 -40.1 64.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.969 -1.082 . . . . 0.0 110.13 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 28.0 mt-30 -69.92 -22.3 63.21 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.561 0.696 . . . . 0.0 109.697 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' ASP . 22.6 p -90.45 -53.16 4.56 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 112.788 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.1 mt-10 -109.96 -32.39 7.05 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.73 -1.231 . . . . 0.0 112.709 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -111.5 26.51 10.58 Favored 'General case' 0 N--CA 1.516 2.825 0 O-C-N 120.898 -1.126 . . . . 0.0 109.808 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' LEU . 55.1 p -60.39 -40.08 89.64 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.167 -0.958 . . . . 0.0 111.102 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.22 -40.56 86.43 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.913 -1.117 . . . . 0.0 111.782 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -76.45 -68.62 0.57 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.681 -1.262 . . . . 0.0 109.842 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.9 mp -81.02 98.52 8.0 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 82.4 m-20 -62.95 80.9 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.999 -0.68 . . . . 0.0 110.083 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -94.04 -15.01 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.62 -0.675 . . . . 0.0 109.591 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -80.13 -69.42 0.59 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 112.248 -178.136 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.18 -50.24 71.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 110.474 -176.336 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.7 m-20 -93.45 77.17 4.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.258 -1.526 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.09 -21.3 21.29 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 63.4 t0 -70.15 -26.88 64.13 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.38 -32.54 73.36 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -75.53 -30.43 22.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.634 -0.666 . . . . 0.0 110.022 -179.327 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -70.25 -39.5 74.98 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 109.012 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HZ2' ' HA ' ' A' ' 53' ' ' ALA . 10.1 mtmp? -69.69 -39.89 76.67 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.175 0.988 . . . . 0.0 109.902 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.66 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.84 -38.95 84.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ASP . 91.0 mmm -71.51 -30.41 65.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.153 -0.967 . . . . 0.0 109.689 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -55.32 -40.64 71.38 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.63 -34.53 78.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.8 mp -81.71 -70.04 0.57 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.508 0.67 . . . . 0.0 110.564 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' MET . 91.0 m-20 -74.49 34.87 0.1 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.528 -0.732 . . . . 0.0 109.624 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 61' ' ' LEU . 89.4 tt0 -54.41 -21.31 9.36 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.09 -3.36 58.77 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.476 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.37 32.9 64.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' GLU . 48.8 p-10 -91.97 -3.24 56.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.097 -1.237 . . . . 0.0 110.199 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.09 8.63 0.26 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -135.48 157.54 46.63 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.23 -1.159 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.13 157.24 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 121.87 0.843 . . . . 0.0 111.636 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.48 20.28 5.46 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 23.5 t80 62.31 -40.94 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 122.134 -0.354 . . . . 0.0 111.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.04 -29.91 67.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.462 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 33.8 mt-10 -68.54 -40.67 80.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.764 -1.21 . . . . 0.0 108.966 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -67.22 -43.6 81.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.839 -0.538 . . . . 0.0 112.233 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.564 HG11 HG21 ' B' ' 83' ' ' VAL . 4.0 p -59.92 -39.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.553 -1.342 . . . . 0.0 110.11 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.8 -39.99 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.734 -1.229 . . . . 0.0 110.787 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.66 HD21 HG13 ' A' ' 57' ' ' ILE . 13.1 tp -62.68 -57.46 10.94 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.086 -1.009 . . . . 0.0 112.256 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.765 HG21 ' CE1' ' A' ' 74' ' ' PHE . 2.6 m -74.31 -21.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.662 -0.649 . . . . 0.0 110.513 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.15 -53.08 22.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.826 -1.171 . . . . 0.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.81 -40.47 75.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.946 -1.096 . . . . 0.0 111.214 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.64 -46.95 87.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.842 -1.161 . . . . 0.0 109.986 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.3 m -62.11 -40.04 94.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.412 -0.805 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' ALA . 50.6 t -60.19 -40.29 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.453 -0.78 . . . . 0.0 109.453 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.82 87.1 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.617 -0.677 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.13 -42.09 94.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.247 -0.908 . . . . 0.0 110.9 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -61.56 -40.2 93.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 110.107 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.259 -0.901 . . . . 0.0 108.79 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.5 -40.23 90.63 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.498 1.943 0 O-C-N 120.938 -1.101 . . . . 0.0 110.579 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . 33.7 tt0 -59.9 -49.89 75.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 110.197 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.9 OUTLIER -72.22 -40.04 68.08 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.641 -1.287 . . . . 0.0 108.441 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.13 -40.03 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 10' ' ' THR . 20.1 m -60.79 -23.07 64.74 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.07 -35.23 76.29 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.742 -0.598 . . . . 0.0 110.916 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -73.48 -39.33 64.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.676 -1.265 . . . . 0.0 109.486 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 92.1 mt-10 -66.56 -39.57 88.57 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.626 0.727 . . . . 0.0 111.754 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.516 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.9 t -73.61 -51.02 18.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -175.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.516 ' N ' HG23 ' B' ' 10' ' ' THR . 2.5 pp -70.09 -25.55 63.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.179 -1.576 . . . . 0.0 108.699 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.84 -28.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.062 -1.024 . . . . 0.0 108.961 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.3 m-20 -73.39 -39.89 64.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.845 . . . . 0.0 109.586 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.404 HG13 HD22 ' B' ' 36' ' ' LEU . 1.2 t -70.6 -34.16 56.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.617 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.8 t80 -59.99 -42.29 93.89 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -85.65 -8.91 57.95 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.19 47.65 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.953 -1.092 . . . . 0.0 109.762 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -103.42 -37.96 7.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.299 -0.875 . . . . 0.0 110.85 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -56.33 -28.57 59.38 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.189 -0.944 . . . . 0.0 110.43 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 0.38 61.17 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -73.59 -31.13 63.41 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.547 -0.972 . . . . 0.0 109.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -95.27 -5.83 42.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 111.626 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 89.91 -11.83 69.36 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' B' ' 26' ' ' TYR . 98.5 m-20 -84.41 25.72 0.85 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' B' ' 23' ' ' GLY . 25.8 ttmt -43.1 -13.5 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.116 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.545 ' N ' ' O ' ' B' ' 24' ' ' ASP . 94.2 m-85 -89.87 -15.61 31.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.594 -1.316 . . . . 0.0 109.352 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -148.7 150.08 32.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.997 -1.064 . . . . 0.0 109.942 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.67 165.71 18.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.117 -0.989 . . . . 0.0 108.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -136.18 165.14 26.43 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.715 -1.241 . . . . 0.0 110.616 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -60.06 -40.13 88.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.459 -0.776 . . . . 0.0 111.38 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.457 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 11.1 tmtt? -77.45 -31.49 53.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.58 -1.325 . . . . 0.0 110.441 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.19 -50.0 73.56 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.616 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.28 -33.98 72.22 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.639 -0.663 . . . . 0.0 111.451 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.6 tttm -60.28 -37.23 79.82 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.824 -1.172 . . . . 0.0 109.202 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 39' ' ' THR . 70.1 m-20 -66.55 -40.07 88.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.133 -0.979 . . . . 0.0 110.13 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.404 HD22 HG13 ' B' ' 14' ' ' VAL . 64.3 mt -61.39 -40.22 93.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.193 -0.942 . . . . 0.0 110.573 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.7 mt -73.16 -40.31 64.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.911 -1.118 . . . . 0.0 110.331 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 28.1 mt-30 -70.29 -21.43 62.95 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.377 0.608 . . . . 0.0 109.621 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 35' ' ' ASP . 21.1 p -90.99 -52.84 4.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.284 -0.885 . . . . 0.0 112.7 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.7 mt-10 -109.98 -32.7 6.94 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.897 -1.127 . . . . 0.0 112.723 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 8' ' ' MET . 10.0 mp -111.35 26.48 10.63 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.982 -1.074 . . . . 0.0 109.907 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 37' ' ' LEU . 59.7 p -60.97 -39.92 91.39 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.131 -0.981 . . . . 0.0 111.22 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 95.2 p -67.16 -40.04 86.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.968 -1.082 . . . . 0.0 111.716 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.84 -69.02 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.625 -1.297 . . . . 0.0 109.907 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 47' ' ' VAL . 11.1 mp -80.7 98.59 7.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.403 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 82.1 m-20 -62.65 80.44 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.608 0.718 . . . . 0.0 110.144 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -93.39 -15.1 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.496 -0.753 . . . . 0.0 109.71 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -80.1 -69.15 0.61 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.715 -1.241 . . . . 0.0 112.369 -178.029 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.23 -50.7 70.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.109 -0.994 . . . . 0.0 110.468 -176.364 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -93.15 77.77 4.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.225 -1.547 . . . . 0.0 109.289 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.506 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.98 -20.84 26.07 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 64.4 t0 -70.07 -26.13 63.86 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.16 74.58 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -75.03 -30.42 23.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.885 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -70.7 -38.98 73.73 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.942 -1.099 . . . . 0.0 109.156 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' HZ2' ' B' ' 56' ' ' LYS . 9.9 mtmp? -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.068 0.937 . . . . 0.0 110.068 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.648 HG13 HD21 ' B' ' 77' ' ' LEU . 0.8 OUTLIER -64.88 -38.93 84.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.488 ' O ' ' N ' ' B' ' 62' ' ' ASP . 89.7 mmm -71.84 -30.02 65.02 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 109.726 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -55.77 -40.36 72.52 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.22 -34.7 78.69 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -81.65 -70.12 0.56 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.543 0.687 . . . . 0.0 110.705 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 58' ' ' MET . 91.7 m-20 -74.62 35.96 0.1 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.483 -0.76 . . . . 0.0 109.501 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 89.2 tt0 -55.09 -21.78 13.95 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.76 -4.46 59.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.414 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.51 63.04 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.8 p-10 -92.02 -3.58 55.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.172 -1.193 . . . . 0.0 109.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.65 9.57 0.29 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.7 mt-10 -135.44 157.12 47.68 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 121.317 -1.108 . . . . 0.0 108.181 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -125.92 157.46 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-O 121.936 0.874 . . . . 0.0 111.657 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.2 m-20 -91.71 20.0 5.93 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 22.8 t80 62.3 -40.88 0.16 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 122.233 -0.292 . . . . 0.0 111.255 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 0.0 OUTLIER -70.13 -29.96 67.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.376 -1.453 . . . . 0.0 109.299 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 32.5 mt-10 -68.32 -40.66 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.689 -1.257 . . . . 0.0 108.948 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.747 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.2 t80 -67.43 -43.25 81.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.779 -0.576 . . . . 0.0 112.542 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.506 HG11 HG21 ' A' ' 83' ' ' VAL . 4.0 p -60.07 -39.93 81.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 120.515 -1.366 . . . . 0.0 109.845 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t -69.67 -40.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.864 -1.147 . . . . 0.0 110.765 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.648 HD21 HG13 ' B' ' 57' ' ' ILE . 13.1 tp -62.46 -57.63 10.55 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.108 -0.995 . . . . 0.0 112.243 -177.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.747 HG21 ' CE2' ' B' ' 74' ' ' PHE . 3.1 m -74.78 -20.58 16.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.617 -0.677 . . . . 0.0 110.527 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.06 -53.04 22.51 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.07 76.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.053 -1.029 . . . . 0.0 111.218 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.65 -47.54 85.79 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.935 -1.103 . . . . 0.0 110.176 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.1 m -61.9 -40.1 94.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.399 -0.813 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 75' ' ' VAL . 46.7 t -60.17 -40.09 82.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.871 0.843 . . . . 0.0 109.622 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.67 87.06 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.411 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.36 -41.06 92.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.364 -0.835 . . . . 0.0 110.703 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.931 -1.106 . . . . 0.0 110.069 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.75 -40.07 91.1 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.58 -40.3 91.21 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.017 -1.052 . . . . 0.0 110.653 -178.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 53.4 mt-10 -60.01 -49.93 75.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 109.396 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.662 HD22 HD11 ' B' ' 41' ' ' LEU . 2.0 tt -71.94 -39.96 69.07 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.77 -39.96 95.8 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -62.54 -22.48 66.36 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.23 -37.19 80.56 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -80.97 -33.9 33.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.01 -1.056 . . . . 0.0 110.346 -179.24 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -71.13 -30.27 66.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 110.146 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.563 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 9.0 t -80.09 -51.69 8.71 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.12 -0.987 . . . . 0.0 111.499 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -62.82 -28.49 70.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.358 -1.464 . . . . 0.0 109.174 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.49 -34.43 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.543 -1.348 . . . . 0.0 110.206 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -70.45 -44.91 66.85 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.271 -0.893 . . . . 0.0 110.852 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 15' ' ' PHE . 29.5 m -69.41 -32.86 54.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 64.4 t80 -62.04 -39.87 93.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.757 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -88.91 -10.09 49.13 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.0 55.39 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -102.63 -27.89 12.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.513 -0.742 . . . . 0.0 111.246 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -60.82 -40.07 91.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.966 -1.084 . . . . 0.0 111.459 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.52 6.29 70.92 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.62 -29.79 63.78 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.224 -1.162 . . . . 0.0 108.461 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -92.79 -2.08 56.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.651 -0.656 . . . . 0.0 110.759 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.49 -7.55 78.59 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 27' ' ' LYS . 66.8 m-20 -91.02 38.28 0.95 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.397 -1.06 . . . . 0.0 108.533 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.62 -16.92 18.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.602 -0.686 . . . . 0.0 110.677 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -66.99 -19.48 65.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.618 -1.301 . . . . 0.0 109.206 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 19.5 pttm -163.19 169.82 18.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.218 -0.926 . . . . 0.0 109.733 177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 33' ' ' LEU . 48.5 tp -78.87 161.41 26.76 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 m -132.38 163.25 29.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.91 -1.119 . . . . 0.0 109.922 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 3.7 tmtt? -59.53 -40.5 87.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.543 -0.723 . . . . 0.0 110.789 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.65 -31.42 61.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.951 -1.093 . . . . 0.0 110.168 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.79 -44.95 79.94 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.492 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 pp -69.97 -30.02 67.28 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.025 -1.047 . . . . 0.0 109.627 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 48.3 tptt -59.79 -40.13 87.24 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.638 -0.664 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 39' ' ' THR . 94.2 m-20 -68.91 -40.05 79.32 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.733 -0.605 . . . . 0.0 111.669 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.8 -40.51 83.87 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.222 -0.924 . . . . 0.0 111.869 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.93 -43.29 55.02 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.604 -1.31 . . . . 0.0 110.746 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -68.95 -25.17 64.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.359 -0.838 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.9 p -73.02 -55.92 5.84 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 121.021 -1.049 . . . . 0.0 111.348 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.3 mt-10 -113.55 -24.62 9.15 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.991 -1.068 . . . . 0.0 113.259 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.671 HD11 HD22 ' B' ' 4' ' ' LEU . 6.6 mp -110.88 21.62 16.27 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.688 -1.258 . . . . 0.0 111.329 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -59.25 -49.37 78.1 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.713 -1.242 . . . . 0.0 110.761 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -61.79 -40.23 94.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.147 -0.971 . . . . 0.0 111.661 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -79.86 -69.97 0.55 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.682 -1.261 . . . . 0.0 109.998 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 47' ' ' VAL . 9.8 mp -81.54 96.58 7.49 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.11 138.81 54.02 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 118.561 -1.256 . . . . 0.0 107.628 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -161.7 -52.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.026 -1.046 . . . . 0.0 110.441 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' H ' HG13 ' A' ' 47' ' ' VAL . 9.9 pt20 -60.04 -42.95 95.53 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.663 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -72.98 -39.44 66.11 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.899 -1.125 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -101.46 79.29 1.95 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.133 -0.979 . . . . 0.0 109.483 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -57.14 -22.2 38.25 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 108.467 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 18.5 p-10 -72.8 -25.68 61.24 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.51 78.6 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.901 -0.499 . . . . 0.0 109.749 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.8 p -76.72 -30.06 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.558 -1.257 . . . . 0.0 109.266 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -65.35 -40.15 93.27 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 109.176 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -70.08 -40.06 75.23 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.221 1.01 . . . . 0.0 110.64 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.93 84.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.636 -178.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.3 ptm -81.79 -26.98 33.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.16 -0.962 . . . . 0.0 110.442 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.17 -42.29 85.71 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.045 -1.034 . . . . 0.0 109.484 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.16 -39.93 91.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.3 mp -83.62 -69.63 0.62 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.428 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.3 m-20 -67.68 39.29 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.199 -0.938 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 61' ' ' LEU . 17.6 pt-20 -58.14 -8.58 1.12 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 62' ' ' ASP . 23.9 m120 -86.75 -3.08 59.01 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.26 0.552 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.39 28.63 73.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 68' ' ' GLU . 50.2 p-10 -88.8 -2.61 58.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.993 . . . . 0.0 109.791 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.43 6.3 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.2 mt-10 -131.98 125.75 32.31 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.184 -1.186 . . . . 0.0 108.766 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.94 142.93 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.855 . . . . 0.0 109.138 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 65.5 t0 -62.13 -48.22 81.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.789 -1.194 . . . . 0.0 110.879 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER 146.06 -60.81 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.27 -35.09 74.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -42.52 95.8 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 109.1 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -66.76 -49.47 65.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.38 -0.825 . . . . 0.0 113.118 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -60.22 -39.82 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.027 -1.045 . . . . 0.0 112.039 -176.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.65 -40.71 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.485 -1.384 . . . . 0.0 110.982 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.15 -52.94 62.74 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.085 -1.009 . . . . 0.0 111.942 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.98 -20.36 14.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.434 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -69.56 -55.46 10.08 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.147 -0.971 . . . . 0.0 110.78 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.01 82.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.056 -1.028 . . . . 0.0 111.207 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.19 -41.23 99.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.14 -40.49 94.05 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.246 -0.909 . . . . 0.0 109.121 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.84 -40.48 82.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.616 0.722 . . . . 0.0 109.759 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.04 86.54 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.566 -0.709 . . . . 0.0 110.255 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.7 -39.48 84.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.047 . . . . 0.0 109.152 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.86 -39.62 85.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.774 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.65 -36.49 83.01 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.213 -0.929 . . . . 0.0 109.435 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.91 -40.61 89.4 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 0.0 110.301 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 120.888 -1.133 . . . . 0.0 108.886 179.093 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.4 ' O ' ' N ' ' B' ' 6' ' ' THR . 50.7 m . . . . . 0 N--CA 1.501 2.083 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 45.8 mt-10 -60.16 -49.71 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.788 . . . . 0.0 109.301 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 41' ' ' LEU . 2.0 tt -71.86 -39.99 69.29 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.65 -40.19 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 2' ' ' SER . 22.0 m -62.45 -22.65 66.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.17 -37.06 80.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -81.13 -33.21 33.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.881 -1.137 . . . . 0.0 110.437 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' B' ' 9' ' ' GLU . 0.2 OUTLIER -71.77 -30.68 65.82 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.081 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' B' ' 11' ' ' LEU . 8.9 t -80.0 -51.91 8.47 Favored 'General case' 0 C--O 1.202 -1.411 0 O-C-N 121.17 -0.956 . . . . 0.0 111.568 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' B' ' 10' ' ' THR . 2.1 pp -62.43 -28.26 69.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.274 -1.517 . . . . 0.0 109.118 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.97 -33.56 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.584 -1.323 . . . . 0.0 110.238 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -71.26 -44.47 65.2 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.095 -1.003 . . . . 0.0 110.796 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 29.7 m -69.5 -32.44 52.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CZ ' ' CD1' ' B' ' 71' ' ' PHE . 65.8 t80 -62.1 -40.05 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.895 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -89.4 -9.21 51.14 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.49 -39.95 51.67 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.443 -0.786 . . . . 0.0 109.183 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -102.82 -27.78 12.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.431 -0.793 . . . . 0.0 111.372 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -60.21 -40.17 89.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.134 -0.979 . . . . 0.0 111.366 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.78 6.22 69.95 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -72.63 -29.72 63.71 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.434 -1.039 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.87 -2.09 56.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.696 -0.627 . . . . 0.0 110.723 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.34 -7.72 77.46 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' B' ' 27' ' ' LYS . 67.1 m-20 -90.72 38.34 0.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.413 -1.051 . . . . 0.0 108.407 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.08 -16.22 18.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.566 -0.709 . . . . 0.0 110.591 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.53 -19.34 65.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.73 -1.231 . . . . 0.0 109.031 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 24' ' ' ASP . 19.3 pttm -163.45 169.78 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.204 -0.935 . . . . 0.0 109.761 177.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 33' ' ' LEU . 47.9 tp -78.92 161.41 26.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.9 m -131.74 164.11 26.71 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.105 -0.997 . . . . 0.0 109.965 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' B' ' 30' ' ' LYS . 3.5 tmtt? -59.92 -40.79 90.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.606 -0.684 . . . . 0.0 110.576 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -74.8 -31.78 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.888 -1.133 . . . . 0.0 110.349 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.54 -45.13 80.45 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.514 -0.741 . . . . 0.0 111.41 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.82 -30.01 67.42 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.91 -1.119 . . . . 0.0 109.713 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 50.4 tptt -59.95 -39.74 86.63 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.584 ' O ' HG23 ' B' ' 39' ' ' THR . 94.3 m-20 -69.21 -39.68 78.44 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.737 -0.602 . . . . 0.0 111.841 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.25 -40.01 82.1 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.264 -0.898 . . . . 0.0 111.883 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -75.52 -43.31 49.61 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.688 -1.257 . . . . 0.0 110.628 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -68.77 -25.01 64.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.311 -0.868 . . . . 0.0 109.542 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -72.96 -56.52 5.04 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.377 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.2 mt-10 -113.04 -24.86 9.24 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.016 -1.053 . . . . 0.0 113.316 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 4' ' ' LEU . 6.6 mp -110.68 22.3 15.56 Favored 'General case' 0 N--CA 1.516 2.835 0 O-C-N 120.567 -1.333 . . . . 0.0 111.167 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.3 p -59.94 -49.34 78.07 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.682 -1.261 . . . . 0.0 110.777 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -61.47 -40.13 93.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.014 -1.053 . . . . 0.0 111.663 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.02 -69.9 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 109.931 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.4 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.0 mp -81.85 96.8 7.74 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.33 138.74 54.5 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 118.551 -1.26 . . . . 0.0 107.722 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.549 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.6 p -161.5 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.012 -1.055 . . . . 0.0 110.403 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.549 ' H ' HG13 ' B' ' 47' ' ' VAL . 10.0 pt20 -60.25 -42.85 96.2 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.683 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -73.23 -39.09 65.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.913 -1.117 . . . . 0.0 109.605 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -101.91 79.76 1.94 Allowed 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.16 0.981 . . . . 0.0 109.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -57.57 -22.74 46.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 18.5 p-10 -72.01 -26.01 62.05 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.08 83.02 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.5 p -75.59 -30.18 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.166 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.21 -40.0 93.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.839 -1.163 . . . . 0.0 109.288 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.7 -39.83 73.22 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.164 0.983 . . . . 0.0 110.385 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -40.0 84.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.42 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.559 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.3 ptm -81.76 -27.19 33.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.81 -42.92 85.25 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.966 -1.084 . . . . 0.0 109.561 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.1 mp -84.0 -69.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.521 -0.737 . . . . 0.0 109.44 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -67.85 39.38 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.134 -0.979 . . . . 0.0 109.408 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.6 pt-20 -57.99 -8.83 1.12 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 62' ' ' ASP . 23.2 m120 -86.45 -3.12 58.95 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.866 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.94 27.5 73.42 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.7 p-10 -88.24 -3.01 58.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.512 -0.993 . . . . 0.0 109.961 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.49 6.39 0.18 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 66' ' ' ASP . 93.0 mt-10 -131.61 125.42 32.18 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.249 -1.147 . . . . 0.0 108.74 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.2 t -93.9 142.71 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.427 -0.796 . . . . 0.0 109.036 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 65.5 t0 -61.96 -48.27 81.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.801 -1.187 . . . . 0.0 110.926 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' CZ ' ' B' ' 15' ' ' PHE . 0.9 OUTLIER 146.01 -61.08 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.86 -35.16 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -60.19 -42.67 95.55 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.2 -179.356 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.48 -49.9 65.08 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.0 p -60.19 -40.13 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.08 -1.013 . . . . 0.0 111.806 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -41.62 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.837 -1.165 . . . . 0.0 110.875 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.21 -52.42 64.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.172 -0.955 . . . . 0.0 112.191 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.32 -20.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.443 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -69.68 -55.39 10.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 110.766 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.96 81.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.959 -1.088 . . . . 0.0 111.275 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.58 -42.0 99.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.901 -1.124 . . . . 0.0 109.132 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -61.16 -40.17 92.86 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.351 -0.843 . . . . 0.0 109.22 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.9 t -60.16 -40.12 82.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.95 86.18 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.62 -0.675 . . . . 0.0 110.496 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.83 -39.9 86.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.981 -1.075 . . . . 0.0 109.083 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.64 -39.71 85.26 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.24 -36.99 83.7 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.0 109.497 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -59.8 -40.04 87.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.162 -0.962 . . . . 0.0 110.435 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.489 1.479 0 O-C-N 120.8 -1.187 . . . . 0.0 108.654 179.046 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.0 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.748 0.785 . . . . 0.0 108.954 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.17 -48.46 81.64 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' B' ' 41' ' ' LEU . 51.2 tp -69.91 -40.0 75.83 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.94 -39.72 87.36 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 2' ' ' SER . 16.8 m -63.75 -22.22 66.8 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.42 -38.64 81.41 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 110.186 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -81.03 -30.83 34.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.017 -1.052 . . . . 0.0 110.413 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.82 -30.39 62.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.287 -0.883 . . . . 0.0 110.212 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.7 t -79.47 -50.81 10.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.391 -0.818 . . . . 0.0 111.61 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -60.35 -30.67 69.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.366 -1.459 . . . . 0.0 110.552 -178.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -73.4 -27.88 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 119.914 -1.742 . . . . 0.0 110.336 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.69 -46.52 30.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.335 -0.853 . . . . 0.0 110.575 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -66.13 -32.92 60.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.0 t80 -60.05 -43.94 95.04 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.036 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -87.56 -4.19 58.97 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.8 -40.01 25.72 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.302 -0.874 . . . . 0.0 109.416 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -104.12 -23.35 13.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.676 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 66.3 m -68.19 -26.09 65.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.605 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 2.71 59.63 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -71.05 -34.11 70.92 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -94.19 -5.7 46.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.556 -0.715 . . . . 0.0 110.814 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.01 75.24 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -87.56 42.83 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -1.124 . . . . 0.0 108.269 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -61.17 -7.85 3.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.882 -0.511 . . . . 0.0 111.341 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -85.04 -13.02 51.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.637 -1.29 . . . . 0.0 109.424 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -160.09 160.33 32.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.329 -0.857 . . . . 0.0 109.088 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -84.59 164.84 18.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.001 -1.062 . . . . 0.0 108.419 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -135.17 168.56 18.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.861 -1.15 . . . . 0.0 109.82 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.68 -41.58 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.259 -0.901 . . . . 0.0 112.233 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.0 -31.62 44.85 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.576 -1.328 . . . . 0.0 110.777 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 95.9 mt-10 -61.14 -45.91 92.72 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.378 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -69.95 -31.51 69.28 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.198 -0.939 . . . . 0.0 110.762 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -61.35 -40.06 92.87 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.047 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 39' ' ' THR . 2.9 p30 -66.55 -39.7 88.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.882 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 88.8 mt -60.61 -41.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.353 -0.842 . . . . 0.0 111.679 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.36 -42.62 35.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.67 -1.269 . . . . 0.0 111.538 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' A' ' 42' ' ' SER . 13.5 pt20 -72.1 -22.06 61.4 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.836 0.827 . . . . 0.0 109.206 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -70.08 -57.31 5.12 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 120.911 -1.118 . . . . 0.0 109.685 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 41' ' ' LEU . 15.2 mm-40 -113.05 -20.24 11.58 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.073 -1.017 . . . . 0.0 113.171 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 ' HG ' ' B' ' 4' ' ' LEU . 6.5 mp -111.3 28.7 8.48 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 120.481 -1.387 . . . . 0.0 111.399 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 53.5 m -60.02 -40.94 91.03 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.856 -1.153 . . . . 0.0 111.425 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -70.87 -41.29 71.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.872 -1.143 . . . . 0.0 112.131 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -80.0 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.755 -1.216 . . . . 0.0 110.529 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 47' ' ' VAL . 10.9 mp -83.43 94.38 7.98 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.1 129.3 40.65 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.234 -1.386 . . . . 0.0 107.964 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -144.08 -76.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.469 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.699 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.2 pt20 -43.27 -35.84 1.6 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.709 -0.62 . . . . 0.0 110.474 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -73.13 -44.62 59.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.617 -1.302 . . . . 0.0 108.387 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 1.6 p30 -104.36 88.3 2.94 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.024 0.916 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.35 -19.24 54.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.92 -22.43 45.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.732 -1.23 . . . . 0.0 108.365 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.61 80.13 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.6 p -70.53 -30.77 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.467 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.62 -40.09 92.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.084 -1.01 . . . . 0.0 108.795 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.51 -39.97 77.25 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-N 115.069 -0.968 . . . . 0.0 113.393 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -76.42 -29.29 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttp -74.46 -31.63 62.3 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -49.98 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.25 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.74 -39.19 93.34 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.902 0.858 . . . . 0.0 108.713 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 74' ' ' PHE . 4.1 mp -68.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.671 0.748 . . . . 0.0 109.451 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' HG22 ' A' ' 69' ' ' VAL . 97.3 m-20 -83.4 42.78 0.84 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -49.32 -19.45 0.5 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 62' ' ' ASP . 65.1 t30 -78.63 -9.15 59.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.722 -0.611 . . . . 0.0 109.942 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.4 32.74 71.97 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 68' ' ' GLU . 51.3 p-10 -90.02 -0.09 57.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.189 -1.183 . . . . 0.0 110.586 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.96 4.42 1.0 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 66' ' ' ASP . 60.5 mm-40 -129.43 146.8 51.23 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 ' OD1' ' A' ' 62' ' ' ASP . 40.5 t -119.02 138.98 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 CA-C-O 121.45 0.643 . . . . 0.0 110.353 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 72' ' ' GLN . 9.3 t70 -78.24 14.98 1.03 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 68.4 t80 62.42 -39.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.989 -0.444 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.6 mt-30 -66.38 -39.94 89.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 108.105 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -60.65 -39.96 90.26 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.206 1.003 . . . . 0.0 108.619 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' A' ' 78' ' ' VAL . 84.1 t80 -60.08 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.331 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 54.1 t -60.01 -39.72 81.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 111.178 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.95 -42.89 98.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 O-C-N 119.874 -1.766 . . . . 0.0 111.736 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.68 -58.31 3.36 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.829 -1.169 . . . . 0.0 112.575 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.1 m -72.24 -28.09 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.608 -1.307 . . . . 0.0 112.782 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -71.78 -48.25 47.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.54 -1.35 . . . . 0.0 109.416 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.61 90.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.941 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -48.44 81.69 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.112 -0.993 . . . . 0.0 110.473 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.991 -1.068 . . . . 0.0 110.31 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.0 -43.79 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.399 -0.813 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.44 82.67 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.06 -39.91 87.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.99 -1.069 . . . . 0.0 109.76 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 110.191 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.11 -36.76 82.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.009 -1.057 . . . . 0.0 109.704 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 110.409 -179.397 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.9 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.759 0.79 . . . . 0.0 109.064 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.09 -48.86 79.96 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 51.6 tp -69.64 -40.0 76.78 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.95 -39.54 87.29 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 10' ' ' THR . 17.5 m -63.84 -22.39 66.89 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.09 -38.91 82.87 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.653 0.739 . . . . 0.0 110.233 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -81.09 -30.65 34.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.021 -1.049 . . . . 0.0 110.475 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.01 -30.46 62.47 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 110.195 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.0 t -79.24 -51.26 9.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.381 -0.824 . . . . 0.0 111.691 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.567 ' N ' HG23 ' B' ' 10' ' ' THR . 0.7 OUTLIER -60.26 -30.39 69.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.373 -1.454 . . . . 0.0 110.604 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 pt -73.7 -27.49 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 119.9 -1.75 . . . . 0.0 110.447 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -76.37 -46.03 29.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.092 -1.005 . . . . 0.0 110.586 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.2 m -65.97 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 7.9 t80 -60.11 -44.03 95.17 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.927 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -87.77 -3.28 58.96 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.03 -39.42 23.54 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.332 -0.855 . . . . 0.0 109.431 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -104.32 -23.46 13.21 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.395 -0.815 . . . . 0.0 110.557 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -68.22 -26.2 65.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.544 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.1 2.75 59.85 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -71.08 -34.15 70.89 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.612 -0.934 . . . . 0.0 108.52 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -94.15 -5.78 46.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.617 -0.677 . . . . 0.0 110.774 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.03 75.27 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.42 42.83 1.06 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.374 -1.074 . . . . 0.0 108.263 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -61.06 -8.25 3.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.297 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -84.66 -13.39 51.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.672 -1.268 . . . . 0.0 109.475 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' B' ' 68' ' ' GLU . 11.9 ttpp -160.11 159.99 32.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.93 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.0 tp -84.24 164.88 18.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.064 -1.023 . . . . 0.0 108.587 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -134.38 169.3 17.44 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.917 -1.115 . . . . 0.0 110.037 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -60.03 -41.91 93.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 112.132 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.18 -31.62 43.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.686 -1.259 . . . . 0.0 110.755 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 95.6 mt-10 -61.41 -45.56 93.82 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.367 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.568 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.98 -31.65 69.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.294 -0.879 . . . . 0.0 110.787 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -61.33 -40.0 92.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.998 -1.064 . . . . 0.0 110.072 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 2.9 p30 -67.3 -37.85 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.0 110.08 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 90.3 mt -62.28 -40.6 96.79 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 111.531 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.23 -43.32 33.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.749 -1.219 . . . . 0.0 111.446 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' B' ' 42' ' ' SER . 13.5 pt20 -71.65 -22.28 61.7 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.817 0.818 . . . . 0.0 109.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.3 p -69.7 -57.51 5.05 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 120.768 -1.208 . . . . 0.0 109.72 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' B' ' 41' ' ' LEU . 16.0 mm-40 -112.96 -20.44 11.55 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.047 -1.033 . . . . 0.0 113.176 -178.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.5 mp -111.22 28.65 8.52 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 120.498 -1.376 . . . . 0.0 111.399 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 53.7 m -59.98 -41.06 91.18 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.845 -1.16 . . . . 0.0 111.293 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.5 m -70.42 -41.54 72.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.883 -1.136 . . . . 0.0 112.186 -177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -80.02 -69.93 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.727 -1.233 . . . . 0.0 110.544 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.8 mp -83.59 94.85 8.17 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.27 129.37 40.95 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 118.206 -1.398 . . . . 0.0 107.901 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.684 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -144.18 -76.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.174 -0.954 . . . . 0.0 109.54 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.684 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.7 pt20 -43.56 -35.79 1.84 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.494 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -72.96 -44.62 60.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.737 -1.227 . . . . 0.0 108.509 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 1.5 p30 -104.24 87.86 2.85 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.011 0.91 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.451 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.97 -20.09 55.68 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.258 -0.901 . . . . 0.0 109.154 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -77.96 -23.27 48.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.784 -1.198 . . . . 0.0 108.479 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.01 84.09 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.451 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.9 p -70.44 -30.41 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.158 -0.964 . . . . 0.0 109.569 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.01 -39.9 90.64 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.035 -1.041 . . . . 0.0 108.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.67 -40.09 76.62 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.225 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.414 ' O ' HD13 ' B' ' 61' ' ' LEU . 2.7 pt -76.59 -28.8 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.588 -1.32 . . . . 0.0 109.063 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttp -74.45 -31.69 62.34 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.51 -39.38 93.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 57' ' ' ILE . 3.7 mp -68.92 -60.0 2.67 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.709 0.766 . . . . 0.0 109.4 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.485 ' OD1' HG22 ' B' ' 69' ' ' VAL . 97.4 m-20 -83.71 43.0 0.88 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -49.54 -19.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.475 ' N ' ' C ' ' B' ' 62' ' ' ASP . 65.1 t30 -79.27 -8.88 59.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.715 -0.615 . . . . 0.0 109.747 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.03 33.0 73.55 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.9 p-10 -90.0 0.0 57.34 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.143 -1.21 . . . . 0.0 110.627 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 4.91 0.99 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 66' ' ' ASP . 60.1 mm-40 -129.49 147.01 51.26 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.517 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.2 t -119.09 139.16 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-O 121.508 0.671 . . . . 0.0 110.337 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' B' ' 72' ' ' GLN . 9.3 t70 -78.42 15.04 1.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.363 -0.835 . . . . 0.0 110.111 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 68.1 t80 62.45 -39.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 122.015 -0.428 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.6 mt-30 -65.93 -39.91 90.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.493 -1.38 . . . . 0.0 108.186 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.74 -39.98 90.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.166 0.984 . . . . 0.0 108.591 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.717 ' O ' HG22 ' B' ' 78' ' ' VAL . 84.6 t80 -60.13 -48.66 80.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.315 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 54.4 t -60.01 -40.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 O-C-N 121.006 -1.059 . . . . 0.0 111.035 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.51 -43.07 98.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 O-C-N 120.198 -1.564 . . . . 0.0 111.683 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.9 -58.41 3.3 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.827 -1.17 . . . . 0.0 112.675 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.717 HG22 ' O ' ' B' ' 74' ' ' PHE . 8.4 m -72.19 -27.87 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.637 -1.289 . . . . 0.0 112.818 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -71.92 -48.19 47.16 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.575 -1.328 . . . . 0.0 109.385 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.294 -0.879 . . . . 0.0 109.975 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -48.51 81.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.153 -0.967 . . . . 0.0 110.328 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -39.98 87.71 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.423 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -43.89 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 110.211 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.4 82.76 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.517 -0.74 . . . . 0.0 110.339 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.119 -0.988 . . . . 0.0 109.795 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -40.09 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.171 -0.955 . . . . 0.0 110.243 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -67.13 -36.59 82.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.98 -1.075 . . . . 0.0 109.712 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.496 -0.752 . . . . 0.0 110.074 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 120.881 -1.137 . . . . 0.0 110.411 -179.346 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 6' ' ' THR . 69.1 p . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 121.1 0.476 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 2.7 mm-40 -59.95 -47.55 85.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.164 -0.96 . . . . 0.0 108.689 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.59 -42.79 61.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.04 -40.08 94.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' SER . 17.7 m -67.27 -21.92 65.69 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.643 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.15 -40.08 78.43 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.315 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.4 mmm -80.57 -32.92 36.46 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 110.482 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -71.17 -33.92 70.45 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.691 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 6.1 t -77.58 -45.75 24.3 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 112.415 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 10' ' ' THR . 1.7 pp -66.13 -25.65 67.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.089 -1.632 . . . . 0.0 110.344 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 pt -78.53 -31.23 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.292 -1.505 . . . . 0.0 110.206 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.24 -41.25 67.04 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.34 -35.35 57.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' A' ' 19' ' ' SER . 42.7 t80 -59.98 -40.08 87.9 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.97 -10.87 52.17 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -39.98 63.19 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.432 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -101.84 -34.76 9.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.512 -0.743 . . . . 0.0 111.149 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 56.8 m -59.97 -39.47 85.76 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.161 -0.962 . . . . 0.0 110.741 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.9 9.45 75.4 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.11 -29.08 25.13 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.527 -0.984 . . . . 0.0 109.944 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.62 -6.95 35.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.932 . . . . 0.0 111.301 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.41 52.96 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 106.889 -2.484 . . . . 0.0 106.889 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.8 t0 49.67 43.25 24.29 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.843 -1.387 . . . . 0.0 108.236 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -80.61 11.42 3.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.762 -0.586 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -56.8 -16.88 7.4 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -166.98 172.45 10.19 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.391 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 33' ' ' LEU . 32.7 tp -77.64 167.36 21.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.925 . . . . 0.0 108.614 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.545 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 5.2 p -134.33 165.01 26.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.974 -1.079 . . . . 0.0 110.021 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.94 -39.94 83.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.769 -0.582 . . . . 0.0 111.89 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -28.51 45.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.497 -1.377 . . . . 0.0 110.413 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 29' ' ' SER . 60.1 mt-10 -64.45 -50.09 68.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 110.534 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -67.54 -35.45 79.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.835 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' N ' HD12 ' A' ' 33' ' ' LEU . 60.3 tttm -60.42 -39.97 89.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.157 -0.964 . . . . 0.0 109.837 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' THR . 85.2 m-20 -64.97 -40.03 94.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.571 -0.706 . . . . 0.0 110.792 -179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.86 -39.98 94.41 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.247 -0.908 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.92 -44.16 56.03 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.827 -1.171 . . . . 0.0 111.423 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.05 -21.75 63.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.329 -0.857 . . . . 0.0 109.601 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.1 p -77.75 -55.48 5.3 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 121.043 -1.035 . . . . 0.0 110.893 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.6 mt-10 -111.74 -28.0 8.28 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.193 -0.942 . . . . 0.0 112.775 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.5 mp -109.59 26.61 10.44 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 120.739 -1.225 . . . . 0.0 110.772 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 p -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.785 -1.197 . . . . 0.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 t -68.38 -40.01 81.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.102 -0.999 . . . . 0.0 111.164 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.52 -70.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.874 -1.141 . . . . 0.0 110.942 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -85.0 96.53 9.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 34.4 p-10 -59.81 94.52 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.229 -0.919 . . . . 0.0 109.634 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.38 -24.96 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.473 -0.767 . . . . 0.0 109.924 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -78.52 -62.41 1.7 Allowed 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.059 -1.025 . . . . 0.0 111.718 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -59.92 -42.54 94.17 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.207 -0.933 . . . . 0.0 110.682 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 81.8 m-20 -100.61 74.13 1.66 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.476 -1.39 . . . . 0.0 109.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -54.05 -18.67 3.84 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.922 -1.111 . . . . 0.0 108.171 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 17.2 p-10 -76.57 -21.46 55.62 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -66.19 -35.38 80.29 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -77.97 -26.18 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.785 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -69.9 -40.0 75.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.806 -1.183 . . . . 0.0 108.515 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -69.9 -39.94 75.92 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.104 0.954 . . . . 0.0 110.092 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.35 -40.07 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.561 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.0 ptm -77.2 -27.03 53.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.836 -1.165 . . . . 0.0 109.679 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.14 -44.96 92.08 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.653 -0.655 . . . . 0.0 109.59 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.32 -39.9 94.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 108.279 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.5 mp -71.34 -61.14 1.88 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.798 0.808 . . . . 0.0 109.341 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' A' ' 64' ' ' ASN . 86.5 m-20 -82.79 40.97 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.4 -16.44 0.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 57.3 t30 -85.89 -6.71 59.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.773 -0.58 . . . . 0.0 110.015 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.04 31.72 69.51 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 56.9 p30 -89.09 -2.08 58.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -1.219 . . . . 0.0 110.138 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.26 4.73 1.97 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.1 mt-10 -133.04 132.96 42.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -100.77 146.84 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 121.837 0.827 . . . . 0.0 111.409 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.9 t0 -86.6 26.14 1.14 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 26.1 p90 53.36 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -60.06 -39.53 86.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 119.995 -1.691 . . . . 0.0 108.594 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.98 -40.03 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.057 -1.027 . . . . 0.0 108.844 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 78' ' ' VAL . 65.3 t80 -61.57 -47.4 85.67 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -40.02 81.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.931 -1.106 . . . . 0.0 111.565 -176.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.16 -40.03 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.391 -1.443 . . . . 0.0 111.771 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.45 -57.26 6.11 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.69 -1.257 . . . . 0.0 111.589 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.4 m -70.97 -23.58 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.679 -1.263 . . . . 0.0 111.758 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.17 -45.75 66.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 109.585 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.94 86.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.4 -47.81 66.32 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.714 -1.242 . . . . 0.0 110.834 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.3 m -63.01 -40.53 98.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.917 -1.114 . . . . 0.0 110.755 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.0 t -61.6 -44.54 98.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.445 -0.784 . . . . 0.0 109.514 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.93 87.68 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.678 -0.639 . . . . 0.0 110.973 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.5 m -59.91 -39.95 87.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.117 -0.989 . . . . 0.0 109.738 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 110.447 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -66.18 -40.06 90.17 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.915 -1.116 . . . . 0.0 109.722 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -60.02 -39.99 87.72 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.614 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.076 -1.015 . . . . 0.0 109.444 -179.444 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' THR . 67.9 p . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.126 0.489 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 2.8 mm-40 -59.98 -47.38 86.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 108.526 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.47 -42.95 61.27 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.2 m -67.1 -21.8 65.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.691 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.1 -40.08 78.6 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.234 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -80.59 -32.96 36.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.032 -1.042 . . . . 0.0 110.457 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.23 -34.13 70.49 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.452 -0.78 . . . . 0.0 110.308 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.643 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 6.0 t -77.35 -46.18 23.69 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 112.38 -177.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' HG23 ' B' ' 10' ' ' THR . 1.8 pp -65.78 -25.45 67.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.044 -1.66 . . . . 0.0 110.349 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 pt -79.06 -30.52 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.264 -1.522 . . . . 0.0 110.311 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -73.14 -40.75 64.64 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.157 -0.965 . . . . 0.0 109.597 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.36 -35.37 57.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -86.97 -10.77 52.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.0 -40.0 63.24 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -102.0 -34.49 9.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.527 -0.733 . . . . 0.0 111.165 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.1 m -60.05 -39.81 87.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 0.0 110.632 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.77 9.69 75.17 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -85.48 -28.59 24.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.952 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.85 -6.67 35.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.192 -0.943 . . . . 0.0 111.291 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.04 -173.62 53.45 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 106.938 -2.465 . . . . 0.0 106.938 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.89 43.2 25.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.843 -1.387 . . . . 0.0 108.161 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 11.43 3.71 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.822 -0.549 . . . . 0.0 110.893 -178.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -56.57 -17.67 9.27 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -166.67 171.88 11.15 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' B' ' 33' ' ' LEU . 31.8 tp -77.02 166.93 22.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.215 -0.928 . . . . 0.0 108.689 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.544 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 4.9 p -132.85 166.22 22.79 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.094 -1.004 . . . . 0.0 109.869 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -60.0 -39.95 87.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 111.809 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -28.48 44.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.532 -1.355 . . . . 0.0 110.482 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 29' ' ' SER . 59.9 mt-10 -64.46 -50.22 68.37 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.53 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -67.46 -35.59 79.48 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.746 . . . . 0.0 110.772 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' B' ' 33' ' ' LEU . 59.6 tttm -60.14 -40.02 88.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.096 -1.003 . . . . 0.0 109.945 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.546 ' O ' HG23 ' B' ' 39' ' ' THR . 86.3 m-20 -64.76 -40.02 94.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.561 -0.712 . . . . 0.0 111.109 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.21 -40.01 93.56 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.268 -0.895 . . . . 0.0 110.879 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 mt -73.73 -44.16 57.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.745 -1.222 . . . . 0.0 111.499 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.06 -21.7 63.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.267 -0.895 . . . . 0.0 109.608 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.546 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.2 p -77.77 -55.37 5.39 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 120.993 -1.067 . . . . 0.0 110.964 -178.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.9 mt-10 -111.75 -28.16 8.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.142 -0.973 . . . . 0.0 112.717 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.453 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.7 mp -109.54 26.37 10.72 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 120.699 -1.251 . . . . 0.0 110.744 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 p -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.86 -1.15 . . . . 0.0 110.678 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -68.2 -40.02 82.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.053 -1.029 . . . . 0.0 111.164 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.65 -70.25 0.52 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.917 -1.114 . . . . 0.0 110.899 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.9 96.49 9.36 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 34.3 p-10 -59.89 94.18 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.307 -0.871 . . . . 0.0 109.689 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.09 -25.0 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.425 -0.797 . . . . 0.0 109.953 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.43 -62.31 1.73 Allowed 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 111.671 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.11 -42.21 94.22 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 110.735 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.2 m-20 -100.76 73.74 1.61 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.593 -1.317 . . . . 0.0 109.611 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.549 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -53.73 -18.81 3.43 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.842 -1.161 . . . . 0.0 108.133 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 17.1 p-10 -76.42 -21.77 55.53 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.54 -36.35 83.55 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.549 HG12 ' O ' ' B' ' 51' ' ' ALA . 4.7 p -77.51 -26.11 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -69.86 -40.02 76.0 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.849 -1.157 . . . . 0.0 108.495 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -69.78 -40.12 76.23 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.033 0.92 . . . . 0.0 110.095 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.407 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.11 -40.01 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 26.5 ptm -77.21 -27.09 53.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.812 -1.18 . . . . 0.0 109.695 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -58.77 -45.28 90.16 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.657 -0.652 . . . . 0.0 109.453 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.13 -39.97 95.17 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.041 -1.037 . . . . 0.0 108.322 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.2 mp -71.49 -61.04 1.92 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.758 0.79 . . . . 0.0 109.346 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.46 ' C ' ' N ' ' B' ' 64' ' ' ASN . 87.5 m-20 -82.79 40.9 0.7 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.55 -16.13 0.2 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.46 ' N ' ' C ' ' B' ' 62' ' ' ASP . 57.0 t30 -86.09 -6.96 58.92 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.658 -0.651 . . . . 0.0 109.926 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.24 32.02 68.85 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' B' ' 68' ' ' GLU . 57.4 p-10 -89.33 -1.96 58.26 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.192 -1.181 . . . . 0.0 110.186 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.13 4.76 1.89 Allowed Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' B' ' 66' ' ' ASP . 97.1 mt-10 -132.95 132.99 42.62 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.405 -1.056 . . . . 0.0 108.155 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.02 146.41 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.88 0.847 . . . . 0.0 111.482 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 72' ' ' GLN . 22.3 t0 -86.19 25.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.679 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 23.2 p90 53.68 -47.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.6 tt0 -59.96 -39.55 86.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.041 -1.662 . . . . 0.0 108.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.9 -40.12 87.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.99 -1.069 . . . . 0.0 108.858 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 78' ' ' VAL . 65.1 t80 -61.58 -47.62 84.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -40.07 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.802 -1.186 . . . . 0.0 111.54 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.65 -40.03 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.715 -1.24 . . . . 0.0 111.724 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.9 -57.61 5.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.737 -1.227 . . . . 0.0 111.528 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.669 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.2 m -70.7 -23.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.727 -1.233 . . . . 0.0 111.755 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.46 -45.61 65.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.68 -1.262 . . . . 0.0 109.545 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.97 86.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.502 -0.749 . . . . 0.0 111.782 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.28 -48.0 66.17 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.757 -1.214 . . . . 0.0 110.792 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -62.84 -40.95 99.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.884 -1.135 . . . . 0.0 110.684 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.1 t -61.25 -44.64 98.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.545 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.694 -0.629 . . . . 0.0 111.026 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.84 -39.97 86.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.04 -1.037 . . . . 0.0 109.858 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.93 -40.01 87.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.333 -0.855 . . . . 0.0 110.407 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -66.15 -40.0 90.24 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.994 -1.066 . . . . 0.0 109.698 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.1 -39.92 87.87 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.138 -0.976 . . . . 0.0 110.722 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.956 -1.09 . . . . 0.0 109.435 -179.633 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.692 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -60.0 -49.87 75.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 110.558 -179.354 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 62.3 tp -67.52 -47.85 68.76 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.42 -39.94 89.21 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.129 -0.982 . . . . 0.0 108.723 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m -62.56 -22.08 66.06 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.1 -35.66 76.71 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.166 -0.959 . . . . 0.0 110.173 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -38.07 48.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.993 -1.067 . . . . 0.0 109.975 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -69.78 -25.66 63.9 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.428 1.109 . . . . 0.0 109.168 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -72.79 -58.42 3.35 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.382 -177.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.66 -24.82 63.67 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.52 -31.55 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.532 -1.355 . . . . 0.0 110.147 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -72.51 -43.73 63.19 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.475 -0.766 . . . . 0.0 110.716 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 m -74.13 -31.56 29.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 122.37 1.081 . . . . 0.0 108.591 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.89 -39.96 95.39 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.708 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -88.41 -11.4 46.19 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.62 63.88 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.255 -0.903 . . . . 0.0 108.953 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.436 ' ND1' HD21 ' A' ' 36' ' ' LEU . 77.8 m80 -98.03 -35.1 10.55 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.535 -0.728 . . . . 0.0 111.037 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -59.93 -39.34 85.17 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.336 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.01 1.76 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.22 -68.76 0.66 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.406 -1.056 . . . . 0.0 108.515 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -124.56 -8.88 7.41 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.264 -0.574 . . . . 0.0 112.406 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.68 -174.49 43.2 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' O ' ' A' ' 27' ' ' LYS . 91.5 m-20 50.01 37.61 14.52 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -15.92 59.45 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.404 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 39.9 t80 -90.3 -8.49 50.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.837 -1.165 . . . . 0.0 109.622 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 24' ' ' ASP . 14.5 ptpt -168.67 172.97 7.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.017 -1.052 . . . . 0.0 109.504 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -79.18 165.28 23.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.94 -1.1 . . . . 0.0 109.356 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -133.16 162.38 31.91 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.153 -0.967 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 33' ' ' LEU . 57.5 tttp -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.964 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -74.57 -31.52 62.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.78 -1.2 . . . . 0.0 110.245 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.9 -42.07 77.39 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.395 -0.816 . . . . 0.0 111.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -70.03 -34.74 73.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.084 -1.01 . . . . 0.0 111.059 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 33' ' ' LEU . 62.5 tttm -60.61 -36.51 78.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.911 -1.118 . . . . 0.0 109.556 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 39' ' ' THR . 95.7 m-20 -66.09 -40.64 90.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.274 -0.891 . . . . 0.0 110.45 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD21 ' ND1' ' A' ' 18' ' ' HIS . 54.2 mt -64.57 -39.97 94.7 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 111.689 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.4 mt -76.97 -41.8 41.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.586 -1.321 . . . . 0.0 111.468 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.15 -21.0 63.12 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.158 -0.964 . . . . 0.0 108.742 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.9 p -73.4 -59.01 2.91 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.824 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 41' ' ' LEU . 20.2 mm-40 -111.96 -29.41 7.65 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.947 -1.096 . . . . 0.0 112.133 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.1 mp -109.42 29.07 7.89 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 120.944 -1.098 . . . . 0.0 110.798 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.9 p -59.92 -43.07 95.12 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.987 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.0 p -74.37 -31.76 62.51 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.823 -1.173 . . . . 0.0 111.038 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -79.98 -69.77 0.56 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.9 -1.125 . . . . 0.0 110.26 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -81.07 97.36 7.49 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 44.5 t0 -54.26 137.71 40.61 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.478 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -164.88 -56.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.997 -1.064 . . . . 0.0 110.683 -178.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.575 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.9 pt20 -60.0 -46.87 88.05 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.968 -177.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -70.75 -39.95 72.98 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.733 -1.229 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -105.52 82.92 1.87 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.463 1.125 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.81 -25.96 65.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.556 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.67 -23.24 62.47 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.595 -1.315 . . . . 0.0 107.688 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.54 -36.05 82.95 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.7 p -78.95 -25.97 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.433 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.97 -40.01 75.63 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.694 -1.254 . . . . 0.0 108.752 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -70.19 -40.02 74.88 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -65.33 -36.35 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-O 121.8 0.81 . . . . 0.0 108.871 -179.131 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 3.5 tmm? -80.51 -27.02 37.81 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -60.9 -41.91 97.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.587 -0.695 . . . . 0.0 109.946 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -69.42 -25.04 63.93 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 77' ' ' LEU . 4.9 mp -80.09 -71.07 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.833 0.825 . . . . 0.0 109.64 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 93.5 m-20 -74.64 41.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.3 tt0 -51.26 -17.53 0.73 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 62' ' ' ASP . 23.3 m120 -82.72 -8.34 59.6 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.224 0.535 . . . . 0.0 109.678 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.83 62.89 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 33.0 p-10 -87.82 -7.27 57.49 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.782 -1.422 . . . . 0.0 110.352 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.03 -4.09 1.86 Allowed Glycine 0 N--CA 1.501 3.017 0 O-C-N 120.865 -1.147 . . . . 0.0 110.534 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.7 mt-10 -123.99 136.4 54.27 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.8 t -99.38 138.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.402 -0.811 . . . . 0.0 109.939 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.3 m-20 -74.16 28.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.606 -0.684 . . . . 0.0 110.373 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 22.7 p90 53.38 -48.19 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.653 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.5 tt0 -60.03 -40.07 88.1 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.451 -1.406 . . . . 0.0 108.994 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.696 -1.252 . . . . 0.0 109.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.672 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.6 t80 -60.23 -49.72 76.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.609 -0.682 . . . . 0.0 112.099 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -29.14 40.66 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 O-C-N 120.38 -1.45 . . . . 0.0 110.211 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.19 -55.93 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.531 -1.356 . . . . 0.0 113.324 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -70.55 -40.14 73.56 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 119.761 -1.837 . . . . 0.0 112.907 -176.621 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 74' ' ' PHE . 1.6 m -75.94 -27.2 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.058 -1.651 . . . . 0.0 110.931 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.85 73.72 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.613 -1.305 . . . . 0.0 109.251 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.36 68.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -69.45 -39.72 77.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.979 -1.076 . . . . 0.0 110.182 -179.046 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 78' ' ' VAL . 76.8 p -67.0 -44.91 79.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.033 -1.042 . . . . 0.0 111.818 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.7 p -69.15 -43.7 81.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.006 -1.059 . . . . 0.0 110.667 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.493 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.58 -42.92 99.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.0 111.115 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -60.04 -39.97 87.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.118 -0.989 . . . . 0.0 110.627 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 20.7 m120 -60.35 -40.09 89.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.915 -1.116 . . . . 0.0 110.262 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.46 -26.53 62.76 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.992 -1.067 . . . . 0.0 109.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -40.08 88.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.058 -1.026 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.891 . . . . 0.0 109.494 -179.742 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.497 0.665 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.682 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -60.03 -49.82 76.16 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 110.569 -179.323 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 60.7 tp -67.32 -47.68 69.82 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.676 -1.265 . . . . 0.0 109.167 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.71 -40.01 90.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.964 . . . . 0.0 108.703 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m -62.46 -22.24 66.07 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.501 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -68.77 -35.98 77.74 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -37.82 47.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.954 -1.091 . . . . 0.0 109.896 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.84 -25.61 63.83 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 122.347 1.07 . . . . 0.0 109.019 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -72.8 -58.27 3.47 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.454 -177.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.93 -24.63 63.4 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.353 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.57 -31.61 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.68 -1.262 . . . . 0.0 110.108 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.82 -43.9 62.13 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.301 -0.874 . . . . 0.0 110.714 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 m -73.52 -32.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 122.508 1.146 . . . . 0.0 108.557 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.65 -40.08 95.95 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.843 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.6 -10.63 48.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.47 62.44 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.165 -0.96 . . . . 0.0 109.0 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' HD21 ' B' ' 36' ' ' LEU . 77.7 m80 -98.01 -34.76 10.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.572 -0.705 . . . . 0.0 111.116 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -60.04 -39.21 85.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 0.0 110.442 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.21 43.42 1.67 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -81.7 -68.44 0.69 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.384 -1.068 . . . . 0.0 108.521 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -124.73 -8.72 7.32 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.276 -0.57 . . . . 0.0 112.31 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -177.02 -174.62 43.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.5 m-20 50.07 37.8 15.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -15.92 59.41 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.488 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 38.5 t80 -89.97 -8.8 50.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.885 -1.134 . . . . 0.0 109.631 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 24' ' ' ASP . 14.6 ptpt -168.74 172.69 7.72 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.97 -1.081 . . . . 0.0 109.404 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 28' ' ' LEU . 27.9 tp -79.04 165.34 23.51 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.963 -1.086 . . . . 0.0 109.465 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p -132.63 162.68 30.7 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.177 -0.952 . . . . 0.0 109.987 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' B' ' 33' ' ' LEU . 57.6 tttp -60.0 -39.71 86.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.943 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -75.28 -31.26 60.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.751 -1.218 . . . . 0.0 110.375 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.98 -41.94 77.2 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.481 -0.762 . . . . 0.0 111.637 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -70.07 -35.22 74.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.195 -0.94 . . . . 0.0 110.891 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.9 tttm -60.03 -36.61 77.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 109.667 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 96.1 m-20 -66.4 -40.02 89.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.548 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' ND1' ' B' ' 18' ' ' HIS . 54.0 mt -65.12 -40.07 93.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 111.602 -178.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 42' ' ' SER . 52.5 mt -76.59 -42.42 42.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.588 -1.32 . . . . 0.0 111.46 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -69.96 -21.08 63.28 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.055 0.931 . . . . 0.0 108.739 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.8 p -72.81 -59.79 2.55 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.297 -0.877 . . . . 0.0 110.619 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.438 ' C ' HD12 ' B' ' 41' ' ' LEU . 19.5 mm-40 -111.5 -29.36 7.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.991 -1.068 . . . . 0.0 112.336 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.438 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.59 29.34 7.67 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.952 -1.093 . . . . 0.0 110.621 -177.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.1 p -60.11 -42.93 95.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.884 -1.135 . . . . 0.0 111.11 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.2 p -74.45 -32.0 62.45 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.0 111.012 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.07 -69.75 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 110.222 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.2 mm? -80.97 97.55 7.52 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 45.1 t0 -53.96 137.9 38.19 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.586 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.5 p -165.3 -56.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.004 -1.06 . . . . 0.0 110.549 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.586 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.8 pt20 -59.84 -46.4 89.38 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -71.14 -39.8 71.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.721 -1.237 . . . . 0.0 109.32 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -105.67 83.18 1.9 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.374 1.083 . . . . 0.0 108.992 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.626 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.98 -26.41 66.0 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.252 -0.905 . . . . 0.0 109.451 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.1 p-10 -70.15 -23.89 63.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.632 -1.292 . . . . 0.0 107.623 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -63.04 -38.61 91.89 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.626 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.1 p -77.3 -25.82 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 C-N-CA 119.347 -0.941 . . . . 0.0 110.662 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.87 -39.98 76.02 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.777 -1.202 . . . . 0.0 108.635 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.41 -39.91 74.17 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.831 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.431 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -65.5 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.095 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 3.4 tmm? -80.27 -27.22 38.65 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.686 0.755 . . . . 0.0 109.061 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.58 -42.33 96.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.497 -0.752 . . . . 0.0 110.07 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.12 -25.19 64.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.407 -0.808 . . . . 0.0 108.848 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 HD11 ' B' ' 77' ' ' LEU . 4.6 mp -80.08 -70.87 0.49 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.808 0.813 . . . . 0.0 109.628 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 94.1 m-20 -74.83 41.66 0.16 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.5 tt0 -51.28 -17.24 0.67 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.481 ' N ' ' C ' ' B' ' 62' ' ' ASP . 21.6 m120 -82.85 -8.45 59.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.25 0.548 . . . . 0.0 109.672 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.99 28.02 63.31 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.238 -0.914 . . . . 0.0 110.978 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 33.3 p-10 -87.45 -7.7 57.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.75 -1.441 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.12 -3.61 2.18 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 120.885 -1.134 . . . . 0.0 110.458 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' B' ' 66' ' ' ASP . 36.9 mt-10 -124.23 136.36 54.1 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 71' ' ' PHE . 24.9 t -99.27 138.09 24.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.665 ' O ' ' N ' ' B' ' 72' ' ' GLN . 82.3 m-20 -74.04 28.17 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.549 -0.719 . . . . 0.0 110.293 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 22.6 p90 53.67 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.4 tt0 -59.98 -39.87 87.2 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.473 -1.392 . . . . 0.0 109.049 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.22 -43.61 95.86 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.624 -1.297 . . . . 0.0 109.558 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.66 ' O ' HG22 ' B' ' 78' ' ' VAL . 63.5 t80 -60.31 -49.73 76.43 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.717 -0.614 . . . . 0.0 112.08 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -29.7 40.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 120.212 -1.555 . . . . 0.0 110.066 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -56.29 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.019 -1.05 . . . . 0.0 113.321 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.724 HD22 ' H ' ' B' ' 77' ' ' LEU . 0.0 OUTLIER -71.15 -39.87 71.67 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 119.752 -1.843 . . . . 0.0 113.043 -176.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -75.97 -27.13 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.026 -1.671 . . . . 0.0 110.96 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.87 73.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.5 -1.375 . . . . 0.0 109.276 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.15 68.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.54 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -69.46 -39.78 77.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.017 -1.052 . . . . 0.0 110.148 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.574 ' O ' ' ND2' ' B' ' 86' ' ' ASN . 82.2 p -67.08 -45.53 77.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.039 -1.038 . . . . 0.0 111.712 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.489 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.9 p -68.27 -43.88 84.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.924 -1.11 . . . . 0.0 110.65 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.489 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.86 -42.52 99.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.996 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.02 -40.31 88.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.126 -0.984 . . . . 0.0 110.705 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' B' ' 82' ' ' THR . 57.7 m-80 -60.22 -39.91 88.32 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.929 -1.107 . . . . 0.0 110.375 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.64 -26.54 62.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.967 -1.083 . . . . 0.0 108.967 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 109.96 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.717 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -59.99 -44.82 94.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.44 -0.787 . . . . 0.0 110.268 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 60.3 tp -68.77 -52.61 28.52 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.532 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 10' ' ' THR . 31.5 m -61.7 -22.96 65.79 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.99 -37.25 75.66 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.764 -0.585 . . . . 0.0 111.038 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtt -80.96 -35.02 32.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.78 -1.2 . . . . 0.0 110.221 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.09 -29.26 66.2 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.453 1.121 . . . . 0.0 108.113 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -69.73 -59.02 3.21 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.917 -177.586 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.99 -28.1 65.25 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.119 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.25 -39.82 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.093 -1.004 . . . . 0.0 109.831 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -65.3 -39.89 93.1 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.225 1.012 . . . . 0.0 109.456 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -24.43 16.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -35.98 75.8 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -88.68 -9.03 53.5 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.78 54.89 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.987 -1.07 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 22.7 t-80 -112.55 -25.8 8.98 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.576 -0.702 . . . . 0.0 112.024 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 43.4 t -59.95 -39.02 84.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.897 -1.127 . . . . 0.0 110.74 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.34 0.82 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -87.16 -48.89 7.68 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -1.113 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.95 -33.08 6.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.847 -0.533 . . . . 0.0 111.406 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 25' ' ' LYS . . . -169.39 -166.05 27.77 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.7 m-20 50.02 29.17 3.31 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' GLY . 3.6 tmtt? -65.48 -19.63 66.01 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.124 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.64 -11.71 36.29 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.731 -1.23 . . . . 0.0 110.685 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' ASP . 84.0 tttt -160.26 161.41 33.41 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.788 -1.195 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -79.09 162.19 26.02 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.689 -1.257 . . . . 0.0 108.515 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.6 m -136.86 166.61 23.22 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.797 -1.189 . . . . 0.0 110.169 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -59.87 -40.24 87.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.899 . . . . 0.0 112.396 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -77.85 -28.65 50.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.366 -1.458 . . . . 0.0 110.334 -177.716 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 19' ' ' SER . 94.0 mt-10 -65.06 -48.76 72.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 111.326 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -68.43 -34.51 76.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.844 . . . . 0.0 111.143 -179.359 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 55.7 tttm -64.93 -39.97 94.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.927 -1.108 . . . . 0.0 110.338 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 89.5 m-20 -61.2 -40.15 92.88 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.104 -0.998 . . . . 0.0 109.554 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 ' CB ' ' A' ' 18' ' ' HIS . 85.0 mt -60.38 -40.0 89.3 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.75 -35.6 38.53 Favored 'General case' 0 C--N 1.288 -2.099 0 O-C-N 119.952 -1.717 . . . . 0.0 110.965 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.54 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.9 mt-30 -69.77 -0.47 7.13 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 111.836 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -101.73 -50.88 3.58 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.057 -1.027 . . . . 0.0 111.648 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' HD22 ' A' ' 41' ' ' LEU . 42.5 mm-40 -111.89 -31.5 6.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.954 -1.091 . . . . 0.0 112.173 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 40' ' ' GLU . 1.4 mm? -110.36 28.7 8.39 Favored 'General case' 0 N--CA 1.513 2.714 0 O-C-N 120.924 -1.11 . . . . 0.0 110.706 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 m -61.44 -41.74 97.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.02 -1.05 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -70.06 -39.4 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.363 -0.835 . . . . 0.0 111.954 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.2 -67.71 0.73 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 109.591 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.4 mt -81.03 97.06 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.34 106.26 0.72 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.569 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HG2' ' A' ' 38' ' ' GLN . 1.3 p -124.49 -19.23 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.545 -0.722 . . . . 0.0 109.537 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -80.14 -68.02 0.71 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.04 -1.038 . . . . 0.0 112.803 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.74 -45.95 81.67 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 110.963 -176.003 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -97.15 77.66 2.72 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.543 -1.348 . . . . 0.0 109.498 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.87 -19.98 20.53 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.52 -21.67 57.78 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.6 81.05 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 51' ' ' ALA . 5.7 p -78.87 -24.77 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.235 -0.916 . . . . 0.0 110.223 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -70.09 -39.9 75.29 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.805 -1.184 . . . . 0.0 107.806 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.17 -39.26 75.39 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.618 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -70.74 -32.05 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.397 -178.457 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 ttp -83.71 -25.5 30.57 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.61 -36.37 78.42 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.4 mp -77.72 -65.13 1.0 Allowed 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.515 0.674 . . . . 0.0 109.784 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' C ' ' N ' ' A' ' 64' ' ' ASN . 96.9 m-20 -80.82 42.88 0.65 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.01 -13.9 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 62' ' ' ASP . 49.8 t30 -88.65 -6.23 57.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.09 33.64 69.73 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.2 p-10 -87.95 -5.67 58.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.035 -1.274 . . . . 0.0 110.6 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.83 -2.7 1.81 Allowed Glycine 0 N--CA 1.497 2.739 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.5 mt-10 -130.0 144.82 51.54 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.442 -1.034 . . . . 0.0 108.646 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 71' ' ' PHE . 40.6 t -113.65 149.03 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 CA-C-O 121.979 0.895 . . . . 0.0 111.756 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.635 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 44.0 t0 -85.49 23.33 1.37 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 30.2 p90 54.59 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 19.7 pt20 -60.05 -37.65 80.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.057 -1.652 . . . . 0.0 108.892 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -60.09 -40.0 88.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.18 -0.95 . . . . 0.0 108.89 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HA ' HD21 ' A' ' 61' ' ' LEU . 59.0 t80 -64.53 -49.24 72.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.7 -39.9 77.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 120.81 -1.181 . . . . 0.0 111.419 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -68.41 -34.75 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.48 -1.388 . . . . 0.0 111.217 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 57' ' ' ILE . 13.9 tp -63.4 -58.08 8.23 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.942 -1.098 . . . . 0.0 111.315 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.91 -22.44 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.614 . . . . 0.0 110.686 -178.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.48 -49.76 57.38 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.178 -0.952 . . . . 0.0 110.216 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.73 74.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.203 -0.936 . . . . 0.0 112.121 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.55 -46.83 74.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.738 -1.226 . . . . 0.0 111.12 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.6 -40.76 89.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.845 -1.159 . . . . 0.0 111.029 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -61.21 -42.13 92.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.387 -0.82 . . . . 0.0 109.394 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.15 92.58 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.646 -0.659 . . . . 0.0 110.14 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.11 -42.51 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.158 -0.964 . . . . 0.0 110.646 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.928 -1.108 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.93 -38.58 86.3 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.298 -0.876 . . . . 0.0 108.696 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.17 -40.97 91.83 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.291 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--N 1.303 -1.444 0 O-C-N 120.969 -1.082 . . . . 0.0 108.929 178.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.491 0.663 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.439 -0.788 . . . . 0.0 110.163 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.542 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 61.5 tp -68.55 -52.47 31.54 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.564 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -39.96 87.43 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 10' ' ' THR . 31.4 m -61.75 -23.17 65.99 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.42 -37.55 77.48 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.344 0.592 . . . . 0.0 110.961 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.4 mtt -80.9 -35.13 32.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.286 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.03 -29.04 65.99 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.475 1.131 . . . . 0.0 108.14 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -70.03 -59.0 3.18 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.819 -177.549 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.943 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.48 -39.4 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.216 -0.927 . . . . 0.0 110.035 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -65.82 -40.1 91.52 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.138 0.97 . . . . 0.0 109.499 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.06 -24.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.78 -36.03 75.38 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -88.48 -9.2 53.26 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.37 55.3 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.884 -1.135 . . . . 0.0 109.694 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.535 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 22.7 t-80 -112.63 -25.9 8.9 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.573 -0.704 . . . . 0.0 111.968 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 44.9 t -60.02 -39.29 85.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.859 -1.151 . . . . 0.0 110.745 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.88 52.14 0.83 Allowed Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -86.88 -49.29 7.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.285 -1.127 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -111.95 -32.9 6.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.854 -0.529 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.08 -166.11 27.58 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 27' ' ' LYS . 40.0 m-20 50.06 29.14 3.34 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -65.55 -19.6 65.99 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.081 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.37 -12.37 35.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.71 -1.244 . . . . 0.0 110.638 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' ASP . 84.3 tttt -160.07 161.21 33.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.778 -1.201 . . . . 0.0 109.681 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -78.96 162.23 26.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.652 -1.28 . . . . 0.0 108.507 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -136.53 167.1 22.01 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.853 -1.154 . . . . 0.0 110.168 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -60.11 -40.08 88.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 112.523 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.503 ' CD ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -78.22 -28.67 47.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.336 -1.478 . . . . 0.0 110.311 -177.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' B' ' 19' ' ' SER . 94.2 mt-10 -64.99 -48.89 72.36 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.327 -0.858 . . . . 0.0 111.273 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -34.53 76.29 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.334 -0.854 . . . . 0.0 111.178 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 54.9 tttm -64.8 -40.1 94.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.998 -1.063 . . . . 0.0 110.264 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 89.9 m-20 -61.27 -39.91 92.14 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.199 -0.938 . . . . 0.0 109.715 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' B' ' 18' ' ' HIS . 83.5 mt -60.7 -39.99 90.59 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -79.73 -35.74 38.4 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 119.989 -1.694 . . . . 0.0 111.028 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -69.54 -0.66 7.01 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 111.867 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -101.66 -50.94 3.57 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.995 -1.066 . . . . 0.0 111.545 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' HB2' HD22 ' B' ' 41' ' ' LEU . 43.2 mm-40 -111.88 -31.54 6.9 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.889 -1.132 . . . . 0.0 112.089 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 40' ' ' GLU . 1.5 mm? -110.14 28.29 8.76 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.981 -1.075 . . . . 0.0 110.862 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.9 m -61.32 -41.82 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.01 -1.056 . . . . 0.0 110.089 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -69.91 -39.61 76.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.314 -0.866 . . . . 0.0 111.981 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.03 -67.6 0.74 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.693 -1.255 . . . . 0.0 109.674 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.91 97.16 7.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.59 106.12 0.73 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.627 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG2' ' B' ' 38' ' ' GLN . 1.3 p -124.44 -19.13 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.609 -0.682 . . . . 0.0 109.575 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 -67.99 0.71 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.983 -1.073 . . . . 0.0 112.812 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.02 -45.35 83.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 111.149 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -97.45 77.44 2.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.441 -1.412 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.83 -20.13 21.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.21 -22.13 58.18 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.01 -37.26 87.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.1 p -77.8 -24.68 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.96 -40.13 75.6 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.753 -1.217 . . . . 0.0 107.765 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.94 -39.45 76.09 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.652 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -70.72 -32.14 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.712 -0.617 . . . . 0.0 109.386 -178.424 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.51 -25.37 31.12 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 122.388 1.09 . . . . 0.0 108.138 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -60.09 -40.13 88.54 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.46 -36.4 78.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.6 mp -77.73 -65.29 0.98 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.514 0.674 . . . . 0.0 109.848 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.471 ' C ' ' N ' ' B' ' 64' ' ' ASN . 96.7 m-20 -80.81 42.94 0.65 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.1 -13.63 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.471 ' N ' ' C ' ' B' ' 62' ' ' ASP . 49.7 t30 -88.93 -6.16 57.47 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.07 33.75 69.89 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.0 p-10 -87.91 -5.86 58.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.037 -1.273 . . . . 0.0 110.593 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.67 -2.38 1.88 Allowed Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.4 mt-10 -130.01 144.71 51.48 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.563 -0.963 . . . . 0.0 108.545 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.415 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.1 t -113.48 149.16 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 121.877 0.846 . . . . 0.0 111.733 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.638 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 44.3 t0 -85.61 23.28 1.41 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 29.2 p90 54.39 -47.36 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.629 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 19.5 pt20 -60.09 -37.65 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.125 -1.609 . . . . 0.0 108.83 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -59.99 -40.05 87.84 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 108.919 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.528 ' HA ' HD21 ' B' ' 61' ' ' LEU . 58.9 t80 -64.38 -49.53 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.62 -40.0 77.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 120.747 -1.22 . . . . 0.0 111.393 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 m -67.68 -35.38 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.731 -1.23 . . . . 0.0 111.191 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.652 HD21 HG13 ' B' ' 57' ' ' ILE . 13.5 tp -63.33 -58.12 8.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.972 -1.08 . . . . 0.0 111.424 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.462 ' H ' HG22 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.73 -22.56 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.65 -0.656 . . . . 0.0 110.667 -178.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -68.14 -50.21 56.12 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.84 74.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.252 -0.905 . . . . 0.0 112.191 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.53 -47.1 73.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.721 -1.237 . . . . 0.0 110.993 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -65.64 -42.03 91.91 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.928 -1.108 . . . . 0.0 111.032 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.29 -42.32 90.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.476 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.06 92.97 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.551 -0.718 . . . . 0.0 110.082 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.3 m -61.01 -42.64 98.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.0 110.629 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.31 -40.04 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.885 -1.134 . . . . 0.0 109.585 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.82 -38.8 86.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.643 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.86 -41.11 90.77 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.332 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.944 -1.098 . . . . 0.0 108.88 179.004 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' THR . 52.8 m . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 4.6 mm-40 -60.12 -49.76 76.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.336 -0.853 . . . . 0.0 109.213 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.71 -39.92 63.98 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -39.94 95.85 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 2' ' ' SER . 22.4 m -64.0 -21.19 66.39 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.16 -39.1 78.97 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.059 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 57.5 ttp -75.45 -40.0 58.11 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 110.928 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.01 66.04 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.383 -0.823 . . . . 0.0 111.294 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.6 t -78.53 -46.14 20.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.113 -0.992 . . . . 0.0 111.802 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -69.64 -27.04 64.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.167 -1.583 . . . . 0.0 109.009 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.85 -36.48 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.003 -1.061 . . . . 0.0 109.998 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -71.15 -41.49 70.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.974 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.41 -33.08 58.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 36.5 t80 -60.85 -40.07 91.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 40.6 t-80 -86.77 -7.4 58.29 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -30.88 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.935 -1.103 . . . . 0.0 110.706 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.09 -32.3 6.83 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.077 -1.015 . . . . 0.0 110.803 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.118 -0.989 . . . . 0.0 111.304 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.23 -5.21 90.22 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.965 -1.084 . . . . 0.0 110.636 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -26.41 44.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.949 -1.324 . . . . 0.0 108.694 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -89.3 -2.83 58.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 90.29 -32.82 4.77 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.9 m-20 -71.08 59.55 0.24 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' GLY . 4.2 ttpm? -78.05 -16.91 57.64 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 -177.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.48 -14.21 41.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.808 -1.183 . . . . 0.0 109.269 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' ASP . 2.7 ttmp? -153.88 155.1 35.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 28' ' ' LEU . 23.6 tp -84.86 169.95 13.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.89 -1.131 . . . . 0.0 108.542 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.517 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.7 t -137.81 166.52 23.79 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.988 -1.07 . . . . 0.0 110.425 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 87.1 tttt -59.88 -39.9 86.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.644 -0.66 . . . . 0.0 111.036 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -75.98 -34.54 59.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.814 -1.179 . . . . 0.0 110.412 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 29' ' ' SER . 58.6 mt-10 -61.84 -49.95 74.23 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 111.392 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -68.3 -32.25 72.25 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.554 -0.717 . . . . 0.0 109.855 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 51.4 tttm -62.22 -39.92 94.39 Favored 'General case' 0 C--O 1.192 -1.926 0 O-C-N 121.018 -1.051 . . . . 0.0 109.787 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 39' ' ' THR . 26.0 t0 -63.85 -40.41 96.5 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.65 -1.281 . . . . 0.0 110.137 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.9 -40.1 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.406 -0.809 . . . . 0.0 110.702 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.9 mt -73.82 -41.14 62.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.027 -1.046 . . . . 0.0 110.793 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.9 mt-30 -69.96 -25.23 63.53 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' ASP . 14.1 p -82.49 -55.3 4.57 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.209 -0.932 . . . . 0.0 112.223 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.5 mt-10 -111.31 -29.82 7.67 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.888 -1.132 . . . . 0.0 113.233 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.03 23.28 14.55 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 120.81 -1.181 . . . . 0.0 110.586 -177.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 37' ' ' LEU . 21.7 p -60.13 -40.24 89.09 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 m -62.23 -45.9 91.25 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.022 -1.049 . . . . 0.0 111.255 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -76.53 -68.79 0.56 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.004 -1.06 . . . . 0.0 110.341 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.7 mp -81.74 94.06 6.93 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 35.7 p-10 -59.64 83.06 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.113 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -95.34 -14.73 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.539 -0.726 . . . . 0.0 109.911 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.0 -67.49 0.76 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.021 -1.049 . . . . 0.0 112.529 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.78 -47.84 84.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 110.501 -176.396 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' ALA . 82.6 m-20 -94.34 78.69 3.92 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.115 -1.616 . . . . 0.0 109.29 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.567 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.22 -24.49 42.4 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.04 -20.68 63.23 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -31.54 72.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -76.64 -31.34 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.683 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.3 m-20 -66.42 -40.01 89.31 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.917 -1.114 . . . . 0.0 108.985 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.513 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -41.01 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HA ' HD22 ' A' ' 61' ' ' LEU . 27.5 ptm -82.47 -31.93 29.14 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 111.069 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.04 -39.94 91.72 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 122.571 1.177 . . . . 0.0 108.774 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.76 -40.12 94.02 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.24 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.026 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -106.39 -24.44 12.24 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.092 -1.005 . . . . 0.0 111.155 -178.057 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 1.026 ' N ' HD23 ' A' ' 61' ' ' LEU . 6.9 t0 -82.81 50.53 1.71 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.442 -1.411 . . . . 0.0 108.039 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -60.24 -10.59 4.76 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.35 -11.56 60.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.97 24.12 33.58 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 22.9 p-10 -91.18 -0.13 57.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.689 -0.889 . . . . 0.0 110.533 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.51 9.94 5.35 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.2 mt-10 -132.18 139.88 48.53 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 71' ' ' PHE . 43.3 t -109.4 137.46 41.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-O 121.385 0.612 . . . . 0.0 110.362 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 72' ' ' GLN . 37.5 t0 -72.84 17.73 0.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 36.5 t80 61.65 -50.75 0.13 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 122.075 -0.391 . . . . 0.0 111.131 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 tm0? -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.476 -1.39 . . . . 0.0 108.427 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 61' ' ' LEU . 51.6 mt-10 -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.106 -0.996 . . . . 0.0 108.635 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 78' ' ' VAL . 69.1 t80 -60.02 -44.88 94.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.681 -178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.05 -39.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.782 -1.199 . . . . 0.0 111.342 -177.5 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 76' ' ' VAL . 11.4 m -72.29 -37.45 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.3 -1.5 . . . . 0.0 111.63 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.83 -56.53 14.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.83 -1.169 . . . . 0.0 111.179 -178.041 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -74.86 -21.92 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.845 -0.535 . . . . 0.0 111.588 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -68.35 -46.5 69.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.728 -1.232 . . . . 0.0 109.393 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.78 75.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.355 -0.841 . . . . 0.0 110.944 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.2 -47.74 75.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.891 -1.13 . . . . 0.0 111.981 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.1 t -74.14 -41.78 61.0 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.95 -1.094 . . . . 0.0 111.635 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' N ' HG23 ' A' ' 82' ' ' THR . 49.5 t -60.67 -44.91 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.099 -1.001 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.383 -0.823 . . . . 0.0 109.784 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.94 -40.03 87.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.321 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.012 -1.055 . . . . 0.0 109.829 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.315 -0.865 . . . . 0.0 110.591 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.041 -1.037 . . . . 0.0 109.965 -179.65 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' B' ' 6' ' ' THR . 51.5 m . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.432 0.634 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 4.5 mm-40 -60.02 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.857 . . . . 0.0 109.227 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.65 -40.01 64.05 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.85 -39.94 95.93 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 2' ' ' SER . 21.1 m -63.91 -21.05 66.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -69.09 -39.75 78.84 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 122.013 0.911 . . . . 0.0 109.049 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.472 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 56.0 ttp -75.19 -39.85 59.84 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.127 -0.983 . . . . 0.0 110.891 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -29.84 65.83 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.399 -0.813 . . . . 0.0 111.181 -177.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 11' ' ' LEU . 11.6 t -78.51 -46.46 19.52 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 121.063 -1.023 . . . . 0.0 111.805 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -69.37 -27.06 65.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.342 -1.474 . . . . 0.0 108.942 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.36 -35.47 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 110.211 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -72.09 -41.26 67.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.3 -33.15 58.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.7 t80 -60.76 -40.05 91.02 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 16' ' ' HIS . 40.1 t-80 -87.16 -6.82 58.49 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.37 23.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.809 -1.182 . . . . 0.0 110.756 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.27 -32.24 6.81 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.049 -1.032 . . . . 0.0 110.749 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -63.2 -39.92 96.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.154 -0.966 . . . . 0.0 111.264 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -4.57 90.27 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.936 -1.126 . . . . 0.0 110.691 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -78.98 -26.28 43.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.898 -1.354 . . . . 0.0 108.497 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -89.49 -2.75 58.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.56 -0.712 . . . . 0.0 110.156 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 90.53 -33.29 4.64 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.9 m-20 -70.79 59.6 0.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' GLY . 4.1 ttpm? -78.32 -16.82 57.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.56 -177.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.47 -14.44 40.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.828 -1.17 . . . . 0.0 109.254 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' B' ' 24' ' ' ASP . 2.7 ttmp? -153.71 155.08 35.29 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 28' ' ' LEU . 23.5 tp -84.75 169.97 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.1 . . . . 0.0 108.668 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 36.4 t -137.25 167.11 22.22 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.001 -1.062 . . . . 0.0 110.475 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.506 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 87.1 tttt -60.04 -40.0 87.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.614 -0.679 . . . . 0.0 110.99 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -76.57 -34.1 58.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.857 -1.152 . . . . 0.0 110.536 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 29' ' ' SER . 58.9 mt-10 -62.08 -49.95 73.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 111.299 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.5 -31.94 71.57 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.353 -0.842 . . . . 0.0 109.916 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 51.9 tttm -62.36 -39.92 94.73 Favored 'General case' 0 C--O 1.193 -1.92 0 O-C-N 121.131 -0.981 . . . . 0.0 109.783 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.482 ' O ' HG23 ' B' ' 39' ' ' THR . 24.6 t0 -64.01 -39.93 95.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.626 -1.297 . . . . 0.0 110.297 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.33 -40.02 94.99 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 110.685 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.3 mt -73.74 -41.15 62.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.91 -1.119 . . . . 0.0 110.85 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.518 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.7 mt-30 -70.05 -24.98 63.35 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' B' ' 35' ' ' ASP . 12.7 p -82.96 -54.72 4.86 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.196 -0.94 . . . . 0.0 112.262 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.8 mt-10 -111.52 -29.95 7.56 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.895 -1.128 . . . . 0.0 113.208 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.4 mp -110.02 23.2 14.66 Favored 'General case' 0 N--CA 1.516 2.875 0 O-C-N 120.806 -1.184 . . . . 0.0 110.556 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 37' ' ' LEU . 24.8 p -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.165 -0.959 . . . . 0.0 110.611 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 57.8 m -62.82 -45.14 93.99 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 111.265 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.02 -68.86 0.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.8 mp -81.76 94.12 6.95 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 35.7 p-10 -59.81 83.12 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.99 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -95.48 -14.52 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.556 -0.715 . . . . 0.0 109.88 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.04 -67.78 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 112.508 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.533 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.4 -47.98 83.4 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.395 -0.816 . . . . 0.0 110.502 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.6 m-20 -94.29 78.55 3.95 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.237 -1.539 . . . . 0.0 109.465 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.11 -24.57 41.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.06 -20.26 63.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -66.46 -30.99 71.46 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.9 OUTLIER -77.17 -31.21 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.664 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.506 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 97.9 m-20 -66.65 -39.87 88.43 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.973 -1.079 . . . . 0.0 108.82 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -70.21 -39.96 74.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -40.79 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.219 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.45 ' HA ' HD22 ' B' ' 61' ' ' LEU . 27.2 ptm -82.75 -31.49 28.34 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.239 -0.913 . . . . 0.0 111.105 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.12 -40.05 92.33 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 122.569 1.176 . . . . 0.0 108.745 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.73 -40.01 93.57 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.273 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 1.003 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -106.75 -24.23 12.16 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.154 -0.966 . . . . 0.0 111.146 -178.077 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 1.003 ' N ' HD23 ' B' ' 61' ' ' LEU . 7.0 t0 -83.03 50.5 1.74 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.456 -1.402 . . . . 0.0 107.977 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.03 -10.81 4.65 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.49 -11.35 60.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.13 0.491 . . . . 0.0 109.68 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.63 24.67 32.98 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 23.1 p-10 -91.23 -0.43 57.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.666 -0.902 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.15 5.61 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 66' ' ' ASP . 43.2 mt-10 -132.4 139.96 48.28 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' B' ' 71' ' ' PHE . 44.2 t -109.34 137.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 121.422 0.63 . . . . 0.0 110.463 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 72' ' ' GLN . 36.1 t0 -73.05 17.58 0.12 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 36.5 t80 61.44 -50.63 0.13 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.027 -0.421 . . . . 0.0 111.272 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' B' ' 70' ' ' ASP . 1.6 tm0? -59.99 -40.01 87.7 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.369 -1.457 . . . . 0.0 108.363 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.505 ' C ' HD12 ' B' ' 61' ' ' LEU . 52.0 mt-10 -59.99 -40.38 88.98 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.121 -0.987 . . . . 0.0 108.561 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.834 ' O ' HG22 ' B' ' 78' ' ' VAL . 68.4 t80 -60.05 -44.58 94.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.568 -0.707 . . . . 0.0 111.716 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -40.7 83.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.748 -1.22 . . . . 0.0 111.125 -177.557 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.405 ' H ' HG22 ' B' ' 76' ' ' VAL . 13.5 m -71.43 -37.72 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 111.784 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -56.6 13.8 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.772 -1.205 . . . . 0.0 111.181 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.834 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -74.73 -21.53 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.82 -0.55 . . . . 0.0 111.638 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -68.66 -46.74 68.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.71 -1.244 . . . . 0.0 109.348 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.46 75.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.0 -48.37 74.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.884 -1.135 . . . . 0.0 111.885 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.5 HG23 ' N ' ' B' ' 83' ' ' VAL . 11.6 t -73.45 -42.82 61.47 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.924 -1.11 . . . . 0.0 111.486 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.5 ' N ' HG23 ' B' ' 82' ' ' THR . 46.9 t -60.11 -44.8 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.08 -1.013 . . . . 0.0 109.223 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.05 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.496 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -40.09 87.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.05 -1.031 . . . . 0.0 110.227 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.67 -40.16 92.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.037 -1.039 . . . . 0.0 109.951 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.24 -39.98 94.62 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.326 -0.859 . . . . 0.0 110.668 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 -179.628 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 121.282 0.563 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.01 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 0.0 109.476 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 41' ' ' LEU . 2.3 tt -70.64 -37.32 73.73 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.22 -40.07 92.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.684 0.754 . . . . 0.0 109.046 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 m -65.37 -20.96 66.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.62 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -71.07 -40.04 71.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.259 -0.9 . . . . 0.0 109.022 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.43 ' O ' HD12 ' A' ' 12' ' ' ILE . 27.0 ttt -71.02 -39.98 72.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.391 -0.818 . . . . 0.0 110.595 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.9 pt-20 -70.41 -34.47 72.55 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 -177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.614 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 15.4 t -79.06 -52.82 7.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.194 -0.941 . . . . 0.0 112.819 -176.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.56 ' N ' HG23 ' A' ' 10' ' ' THR . 1.9 pp -61.29 -26.67 67.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 119.988 -1.695 . . . . 0.0 108.715 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 8' ' ' MET . 77.1 mt -74.51 -33.6 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.708 -1.245 . . . . 0.0 109.865 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 88.8 m-20 -70.01 -44.32 69.58 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.331 -0.856 . . . . 0.0 110.891 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.6 m -69.97 -33.74 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 14' ' ' VAL . 41.6 t80 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.128 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -88.01 -10.38 50.52 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.57 -40.01 61.91 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.425 -0.797 . . . . 0.0 109.322 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -101.2 -34.67 9.58 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.474 -0.767 . . . . 0.0 111.031 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.2 m -59.88 -40.01 87.23 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.638 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.17 4.07 84.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -88.69 -20.97 24.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.512 -0.993 . . . . 0.0 109.615 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.95 -1.23 37.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.324 -0.86 . . . . 0.0 110.929 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.95 -13.64 64.06 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 27' ' ' LYS . 97.2 m-20 -85.14 37.3 0.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' GLY . 7.1 ttmm -51.41 -20.04 1.62 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.505 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -94.36 -14.51 25.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.658 -1.276 . . . . 0.0 110.641 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 24' ' ' ASP . 13.1 ttmt -149.92 151.81 34.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.003 -1.06 . . . . 0.0 109.136 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -79.72 163.1 24.77 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 28.7 t -135.16 164.46 27.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.893 -1.129 . . . . 0.0 110.431 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -58.87 -40.02 83.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.545 -0.722 . . . . 0.0 111.358 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -74.75 -29.91 61.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.641 -1.287 . . . . 0.0 110.377 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 81.4 mt-10 -65.9 -50.67 63.63 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.144 -0.972 . . . . 0.0 111.312 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -63.4 -30.36 71.5 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.05 -1.032 . . . . 0.0 109.709 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 33.5 tptt -59.99 -40.14 88.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.338 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' THR . 98.5 m-20 -70.97 -40.08 72.16 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.38 -0.825 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.0 mt -62.16 -41.35 98.22 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.021 -1.049 . . . . 0.0 111.854 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.7 -41.68 26.28 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.785 -1.197 . . . . 0.0 111.215 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -10.06 59.37 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.436 -0.79 . . . . 0.0 109.113 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.1 p -81.83 -60.72 2.14 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.672 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.9 mt-10 -111.31 -29.84 7.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.269 -0.894 . . . . 0.0 111.641 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.647 HD21 HD22 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -106.76 26.25 10.25 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 120.884 -1.135 . . . . 0.0 110.313 -177.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -59.97 -45.97 90.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.059 -1.025 . . . . 0.0 111.318 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.9 t -69.97 -39.82 75.74 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 111.916 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.82 -66.72 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.637 -1.289 . . . . 0.0 110.172 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 ' OG1' ' A' ' 82' ' ' THR . 10.9 mp -81.31 97.78 7.84 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -56.61 140.21 47.51 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.9 p -169.43 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 120.92 -1.113 . . . . 0.0 110.259 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.6 pt20 -60.54 -46.11 91.4 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.317 -0.865 . . . . 0.0 110.705 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.965 -1.084 . . . . 0.0 109.72 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -104.1 82.26 1.94 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.188 -0.945 . . . . 0.0 108.935 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.994 -1.066 . . . . 0.0 108.176 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -60.02 -35.71 75.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.06 69.53 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.458 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.64 -28.77 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.009 -1.057 . . . . 0.0 109.486 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.67 -40.01 80.35 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.819 -1.176 . . . . 0.0 108.847 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -70.15 -40.04 75.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 122.009 0.909 . . . . 0.0 109.41 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.723 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.57 -37.37 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.04 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.3 mmm -73.8 -31.45 63.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 0.0 109.598 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.54 -40.07 81.98 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.758 -0.589 . . . . 0.0 109.938 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.98 -25.19 63.5 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 108.855 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.4 mp -89.98 -77.59 0.39 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.765 0.793 . . . . 0.0 110.871 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 83.0 m-20 -73.02 38.43 0.09 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.348 0.594 . . . . 0.0 110.304 -177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.2 pt-20 -62.32 -13.94 34.12 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -81.29 2.21 29.12 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.775 -0.578 . . . . 0.0 111.273 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.31 43.05 13.64 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' A' ' 68' ' ' GLU . 18.2 p-10 -140.88 96.25 2.98 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.28 25.12 0.01 OUTLIER Glycine 0 N--CA 1.506 3.315 0 O-C-N 121.925 -0.484 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' A' ' 66' ' ' ASP . 44.1 mp0 -129.76 133.78 47.21 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 71' ' ' PHE . 8.3 t -100.98 144.33 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.498 -0.751 . . . . 0.0 111.097 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.606 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 96.0 m-20 -74.68 21.35 0.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 14.3 p90 56.36 -39.22 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.079 0.552 . . . . 0.0 112.229 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.588 ' N ' ' O ' ' A' ' 70' ' ' ASP . 14.3 pt20 -69.94 -34.19 73.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.285 -1.509 . . . . 0.0 108.456 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -60.94 -40.05 91.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.13 -0.982 . . . . 0.0 108.609 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 78' ' ' VAL . 60.7 t80 -69.17 -40.33 78.21 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -60.09 -39.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 O-C-N 120.238 -1.539 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.87 -38.73 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.855 -1.153 . . . . 0.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HG13 ' A' ' 57' ' ' ILE . 42.5 tp -59.92 -56.91 15.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.175 -0.953 . . . . 0.0 112.624 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 74' ' ' PHE . 3.0 m -80.07 -21.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 O-C-N 121.734 -0.603 . . . . 0.0 111.372 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.42 -44.62 67.54 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 109.68 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.17 53.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.0 111.694 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.98 -40.01 90.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.046 . . . . 0.0 110.461 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' HD21 ' A' ' 45' ' ' LEU . 94.6 m -63.4 -43.01 98.75 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 122.124 0.964 . . . . 0.0 109.75 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' ALA . 51.7 t -61.61 -40.01 85.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.434 0.635 . . . . 0.0 110.125 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.89 96.49 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.454 -0.779 . . . . 0.0 111.38 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 15.2 p -62.16 -39.92 94.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.804 -1.185 . . . . 0.0 110.586 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 40.6 t30 -60.24 -40.47 90.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.032 -1.042 . . . . 0.0 110.378 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.43 -28.63 65.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.064 -1.023 . . . . 0.0 109.706 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.94 -44.45 94.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.497 1.899 0 CA-C-O 121.276 0.56 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -60.09 -49.91 75.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -0.919 . . . . 0.0 109.401 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.78 -37.29 73.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.43 -39.89 92.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.511 -0.743 . . . . 0.0 109.119 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.7 m -65.3 -20.94 66.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -71.12 -40.0 71.69 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 108.975 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.436 ' O ' HD12 ' B' ' 12' ' ' ILE . 27.3 ttt -70.7 -40.06 73.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 110.475 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.2 pt-20 -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.506 -0.747 . . . . 0.0 111.541 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.62 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.8 t -78.91 -52.66 7.98 Favored 'General case' 0 C--O 1.202 -1.424 0 O-C-N 121.196 -0.94 . . . . 0.0 112.8 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.552 ' N ' HG23 ' B' ' 10' ' ' THR . 1.9 pp -61.37 -26.8 68.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.917 -1.739 . . . . 0.0 108.625 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.436 HD12 ' O ' ' B' ' 8' ' ' MET . 76.7 mt -74.41 -33.49 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.699 -1.251 . . . . 0.0 109.843 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 90.0 m-20 -70.28 -44.02 69.26 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.168 -0.957 . . . . 0.0 111.002 -178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.474 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.5 m -69.93 -33.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.474 ' N ' HG23 ' B' ' 14' ' ' VAL . 41.7 t80 -60.09 -39.95 87.88 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.182 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -88.03 -10.45 50.25 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.07 61.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.508 -0.745 . . . . 0.0 109.266 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -101.09 -34.51 9.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.382 -0.824 . . . . 0.0 111.156 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -40.01 88.21 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.328 -0.857 . . . . 0.0 110.552 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.23 84.52 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -88.77 -21.16 23.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -1.013 . . . . 0.0 109.635 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.89 -1.16 38.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.286 -0.884 . . . . 0.0 110.937 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 90.05 -13.51 64.57 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 27' ' ' LYS . 97.3 m-20 -85.15 37.01 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 23' ' ' GLY . 6.5 ttmm -51.16 -19.98 1.36 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.508 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -94.49 -14.67 24.9 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.712 -1.243 . . . . 0.0 110.586 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 24' ' ' ASP . 12.4 ttmt -149.84 151.48 33.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.88 -1.138 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.42 162.89 25.21 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 29.8 t -134.03 165.73 24.37 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.961 -1.087 . . . . 0.0 110.445 -178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -59.95 -40.02 87.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.6 -0.687 . . . . 0.0 111.293 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -74.83 -30.02 61.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.682 -1.261 . . . . 0.0 110.393 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 81.3 mt-10 -65.8 -50.78 63.44 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.216 -0.927 . . . . 0.0 111.313 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -63.22 -30.66 71.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.675 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 35.5 tptt -59.93 -39.91 87.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 109.587 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' B' ' 39' ' ' THR . 98.4 m-20 -71.01 -39.71 72.22 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.47 -0.769 . . . . 0.0 111.047 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.2 mt -62.97 -41.18 99.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.011 -1.055 . . . . 0.0 111.71 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.66 -41.79 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.648 -1.283 . . . . 0.0 111.265 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.13 59.42 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-O 121.727 0.775 . . . . 0.0 109.093 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.1 p -81.81 -60.65 2.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.439 -0.788 . . . . 0.0 110.684 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.1 mt-10 -111.28 -30.05 7.58 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.251 -0.905 . . . . 0.0 111.558 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.655 HD21 HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -106.4 25.74 10.73 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 120.819 -1.175 . . . . 0.0 110.271 -177.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -60.0 -45.51 92.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 111.423 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.0 t -70.31 -39.94 74.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 111.89 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.7 -66.32 0.83 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.683 -1.26 . . . . 0.0 110.272 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.426 HD21 ' OG1' ' B' ' 82' ' ' THR . 10.7 mp -81.81 97.72 8.13 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -56.45 140.03 47.19 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.561 HG13 ' H ' ' B' ' 48' ' ' GLN . 3.1 p -169.32 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.961 -1.087 . . . . 0.0 110.239 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.561 ' H ' HG13 ' B' ' 47' ' ' VAL . 6.2 pt20 -60.56 -46.13 91.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.782 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -69.98 -39.95 75.64 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.873 -1.142 . . . . 0.0 109.728 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -104.06 81.91 1.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.161 -0.962 . . . . 0.0 109.143 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.429 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.0 -28.04 67.36 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.018 -1.051 . . . . 0.0 108.173 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -35.63 75.65 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -31.54 69.73 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.48 -28.65 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.021 -1.049 . . . . 0.0 109.565 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -68.76 -39.99 80.0 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 120.94 -1.1 . . . . 0.0 108.833 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -70.13 -40.19 74.96 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.959 0.885 . . . . 0.0 109.47 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.729 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -63.73 -37.01 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mmm -73.86 -31.44 63.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.852 . . . . 0.0 109.503 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -58.64 -40.17 82.66 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.745 -0.597 . . . . 0.0 109.961 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.04 -25.08 63.39 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.275 -0.891 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.2 mp -89.99 -77.55 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.793 0.806 . . . . 0.0 110.797 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 84.7 m-20 -72.99 38.29 0.08 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.391 0.615 . . . . 0.0 110.304 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' B' ' 61' ' ' LEU . 20.1 pt-20 -62.35 -13.55 30.21 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -81.55 2.07 30.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.915 -0.49 . . . . 0.0 111.216 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.43 43.03 13.25 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.3 p-10 -140.8 96.41 3.01 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.52 25.29 0.01 OUTLIER Glycine 0 N--CA 1.504 3.231 0 O-C-N 121.844 -0.535 . . . . 0.0 112.146 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' B' ' 66' ' ' ASP . 44.7 mp0 -130.04 133.64 46.86 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' PHE . 7.7 t -100.8 144.42 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.476 -0.765 . . . . 0.0 111.094 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.608 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 95.4 m-20 -74.76 21.38 0.11 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 14.3 p90 56.21 -39.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.059 0.544 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' B' ' 70' ' ' ASP . 14.3 pt20 -69.92 -34.27 73.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.287 -1.508 . . . . 0.0 108.56 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.82 -40.01 91.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.198 -0.939 . . . . 0.0 108.494 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' B' ' 78' ' ' VAL . 61.5 t80 -69.56 -40.03 77.04 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.98 -40.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.195 -1.565 . . . . 0.0 109.583 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -38.86 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.038 -1.039 . . . . 0.0 110.229 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.729 HD21 HG13 ' B' ' 57' ' ' ILE . 43.5 tp -60.05 -56.78 17.4 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.33 -0.856 . . . . 0.0 112.677 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.2 m -80.19 -21.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.686 -0.634 . . . . 0.0 111.373 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.39 -44.66 67.56 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.9 -45.2 52.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 111.743 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.67 -40.02 91.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.036 -1.04 . . . . 0.0 110.457 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.426 ' OG1' HD21 ' B' ' 45' ' ' LEU . 94.8 m -63.49 -43.06 98.36 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 122.074 0.94 . . . . 0.0 109.749 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 79' ' ' ALA . 46.3 t -61.44 -40.0 84.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-O 121.462 0.648 . . . . 0.0 110.071 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.49 95.88 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 111.512 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 15.5 p -62.22 -40.14 95.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.869 -1.145 . . . . 0.0 110.475 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.497 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 t30 -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.964 -1.085 . . . . 0.0 110.446 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -70.38 -28.58 65.21 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.045 -1.034 . . . . 0.0 109.742 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -44.21 94.79 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.158 -0.963 . . . . 0.0 110.03 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.53 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.6 p . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.14 -48.15 82.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.151 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -73.1 -38.64 66.3 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.099 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.3 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.6 m -64.23 -22.98 67.14 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -66.34 -40.01 89.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.116 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mtm -79.46 -32.89 42.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.732 -1.23 . . . . 0.0 110.964 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.81 -33.92 71.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.2 -0.937 . . . . 0.0 110.466 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 14.9 t -76.88 -43.89 34.14 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.419 -0.801 . . . . 0.0 111.762 -177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 10' ' ' THR . 3.2 pp -73.32 -27.74 61.69 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.189 -1.569 . . . . 0.0 109.588 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.07 -37.95 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.807 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -70.01 -39.94 75.55 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.955 0.883 . . . . 0.0 109.86 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.31 -29.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -63.47 -40.02 95.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.511 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 48.8 t60 -81.26 -12.92 58.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.08 56.57 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.115 -0.991 . . . . 0.0 109.892 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 73.2 m80 -119.91 5.54 10.91 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.413 -0.805 . . . . 0.0 111.116 -178.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.625 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 1.2 t -54.19 -8.52 0.2 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.032 -1.043 . . . . 0.0 109.45 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' HIS . . . 117.81 38.36 0.83 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -57.36 -18.22 16.33 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 12.4 pt-20 -90.49 0.15 57.43 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.556 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' GLY . . . 154.37 162.12 10.94 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.7 t0 49.96 39.41 18.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.972 -1.31 . . . . 0.0 107.92 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.625 ' HZ2' ' HB3' ' A' ' 19' ' ' SER . 51.9 tptt -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.505 0.669 . . . . 0.0 109.639 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -81.59 -10.05 59.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.269 -0.895 . . . . 0.0 108.906 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -156.87 158.22 36.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.872 . . . . 0.0 109.08 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.64 162.66 26.08 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.0 t -136.83 165.44 25.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.846 -1.159 . . . . 0.0 110.464 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.01 -39.67 86.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.678 -0.639 . . . . 0.0 111.489 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.52 50.95 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.461 -1.399 . . . . 0.0 110.113 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 29' ' ' SER . 79.5 mt-10 -62.77 -48.39 79.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 110.439 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -72.39 -34.14 67.69 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.346 -0.846 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.11 -37.11 79.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.122 . . . . 0.0 108.567 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 39' ' ' THR . 29.8 t0 -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.763 0.792 . . . . 0.0 109.773 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 18' ' ' HIS . 88.3 mt -65.19 -39.97 93.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.347 -0.846 . . . . 0.0 111.628 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -74.55 -43.75 54.27 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.877 -1.139 . . . . 0.0 111.231 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -70.03 -20.6 63.25 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.382 -0.824 . . . . 0.0 109.465 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.5 p -80.34 -57.96 3.36 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.222 -0.924 . . . . 0.0 111.823 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 5.5 mt-10 -112.22 -29.48 7.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.393 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -110.04 25.73 11.46 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 120.958 -1.089 . . . . 0.0 110.431 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LEU . 10.2 p -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.992 -1.067 . . . . 0.0 111.33 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -68.15 -40.04 82.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 111.826 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.65 -68.86 0.61 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.799 -1.188 . . . . 0.0 109.826 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.57 97.65 7.28 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' CE ' ' A' ' 49' ' ' LYS . 78.1 m-20 -59.39 134.29 56.87 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.44 -38.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.011 -1.056 . . . . 0.0 109.976 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -66.84 -59.59 3.4 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.81 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' CG ' ' A' ' 46' ' ' ASP . 33.1 pttt -64.75 -43.27 93.85 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.2 m-20 -98.49 72.69 2.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.393 -1.442 . . . . 0.0 109.234 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.64 -19.74 2.57 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.797 -1.189 . . . . 0.0 108.004 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 50' ' ' ASP . 11.1 p-10 -73.64 -26.38 60.74 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.55 -36.35 82.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.815 -0.553 . . . . 0.0 109.658 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.6 p -78.28 -25.72 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.05 -40.0 75.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.648 -1.282 . . . . 0.0 108.412 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -70.07 -38.23 75.68 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.055 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.93 66.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.5 mmm -70.94 -32.83 69.83 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.072 0.939 . . . . 0.0 108.779 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -60.03 -45.89 91.29 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.581 0.705 . . . . 0.0 109.627 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.96 -39.25 69.51 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.988 0.899 . . . . 0.0 108.987 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.29 -79.74 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.564 0.697 . . . . 0.0 109.321 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 62.4 t0 -77.63 60.77 2.23 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.33 -13.73 1.52 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.5 t30 -79.24 -15.96 57.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.3 27.34 73.75 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 2.6 p30 -87.1 -5.33 59.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.147 -1.208 . . . . 0.0 109.91 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 75.85 0.49 64.47 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 40.6 mt-10 -127.87 145.46 50.94 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.369 -1.077 . . . . 0.0 108.721 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 t -113.81 149.88 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.745 0.783 . . . . 0.0 110.397 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -93.58 19.99 7.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.357 -0.839 . . . . 0.0 109.179 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 57.1 t80 66.75 -44.68 0.44 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 122.202 -0.311 . . . . 0.0 111.213 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.79 -38.6 91.72 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.365 -1.459 . . . . 0.0 109.212 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.93 -39.95 87.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.768 -1.208 . . . . 0.0 109.02 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 78' ' ' VAL . 34.6 t80 -67.85 -40.12 83.73 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -69.67 -40.07 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.669 -1.269 . . . . 0.0 112.526 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' B' ' 76' ' ' VAL . 74.5 t -70.06 -40.11 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.341 -1.475 . . . . 0.0 111.277 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -65.35 -56.0 15.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 111.628 -176.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 74' ' ' PHE . 26.9 m -73.52 -22.11 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.263 -0.898 . . . . 0.0 111.057 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -62.93 -50.4 71.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.027 -1.045 . . . . 0.0 109.0 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.1 91.89 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.56 -0.713 . . . . 0.0 111.591 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.46 -50.04 75.16 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.652 -1.28 . . . . 0.0 111.305 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.0 m -64.15 -40.02 95.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.011 -1.055 . . . . 0.0 111.056 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.93 -44.03 93.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.288 -0.883 . . . . 0.0 109.721 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.6 82.81 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.075 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.3 m -59.92 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -59.94 -40.08 87.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.838 -1.164 . . . . 0.0 109.187 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.86 -20.96 61.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.147 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 109.307 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.437 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.1 p . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.92 -48.36 82.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -73.01 -38.4 66.61 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.59 -40.04 94.81 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.437 ' N ' ' O ' ' B' ' 2' ' ' SER . 20.7 m -64.16 -23.05 67.18 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -66.32 -39.79 89.49 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.531 -0.73 . . . . 0.0 110.16 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtm -79.45 -33.12 42.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.405 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.4 pt-20 -70.61 -33.82 71.45 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 110.48 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.605 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.9 t -76.98 -43.96 32.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.495 -0.753 . . . . 0.0 111.786 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -73.43 -27.48 61.46 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.236 -1.54 . . . . 0.0 109.447 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.41 -37.74 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.044 -1.035 . . . . 0.0 109.964 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.1 m-20 -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.0 0.905 . . . . 0.0 109.936 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.22 -28.84 26.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 24.5 t80 -63.91 -40.04 95.58 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.485 ' CE1' ' CE ' ' B' ' 25' ' ' LYS . 48.6 t60 -81.21 -13.08 58.93 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.63 -37.57 56.12 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.043 -1.036 . . . . 0.0 109.918 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' B' ' 20' ' ' GLY . 73.4 m80 -119.68 5.32 11.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.558 ' HB3' ' HZ2' ' B' ' 25' ' ' LYS . 1.2 t -54.03 -8.91 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.097 -1.002 . . . . 0.0 109.393 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 18' ' ' HIS . . . 117.96 38.95 0.78 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -57.95 -17.96 20.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' B' ' 20' ' ' GLY . 12.4 pt-20 -90.68 -0.06 57.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.453 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' B' ' 20' ' ' GLY . . . 154.78 162.14 11.01 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.0 t0 49.98 39.42 18.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.964 -1.315 . . . . 0.0 107.792 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.558 ' HZ2' ' HB3' ' B' ' 19' ' ' SER . 51.4 tptt -79.67 -10.03 59.73 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.593 0.711 . . . . 0.0 109.623 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -81.63 -10.09 59.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 108.986 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -156.92 158.08 36.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.395 -0.815 . . . . 0.0 108.982 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -78.37 162.63 26.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 16.8 t -136.38 165.85 24.83 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.837 -1.164 . . . . 0.0 110.537 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.716 -0.615 . . . . 0.0 111.693 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -30.69 49.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.542 -1.349 . . . . 0.0 110.081 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 29' ' ' SER . 79.3 mt-10 -62.62 -48.38 79.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.456 -0.777 . . . . 0.0 110.488 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.2 pp -72.37 -34.17 67.76 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.465 -0.772 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.11 -37.06 78.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 108.617 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.557 ' O ' HG23 ' B' ' 39' ' ' THR . 29.1 t0 -64.43 -39.55 94.05 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.692 0.758 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' B' ' 18' ' ' HIS . 89.9 mt -65.51 -40.03 92.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' B' ' 42' ' ' SER . 33.4 mt -74.62 -43.8 53.71 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.851 -1.156 . . . . 0.0 111.277 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.77 -20.9 63.47 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.329 -0.857 . . . . 0.0 109.434 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.3 p -79.96 -58.03 3.36 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.219 -0.926 . . . . 0.0 111.95 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.6 mt-10 -112.32 -29.48 7.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.069 -1.02 . . . . 0.0 112.373 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.95 25.46 11.76 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 121.005 -1.06 . . . . 0.0 110.489 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 37' ' ' LEU . 10.0 p -60.02 -40.07 88.02 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.981 . . . . 0.0 111.402 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -67.99 -39.98 83.14 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.969 -1.082 . . . . 0.0 111.844 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -78.65 -68.55 0.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.806 -1.183 . . . . 0.0 109.87 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.1 97.7 7.67 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' CE ' ' B' ' 49' ' ' LYS . 77.6 m-20 -59.45 134.11 56.71 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 118.502 -1.279 . . . . 0.0 107.582 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.3 -38.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.97 -1.081 . . . . 0.0 109.946 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -66.89 -59.22 3.71 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.865 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.406 ' CE ' ' CG ' ' B' ' 46' ' ' ASP . 33.9 pttt -65.33 -42.78 92.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.662 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.5 m-20 -98.78 72.68 1.98 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.544 -1.348 . . . . 0.0 109.329 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -52.92 -19.5 2.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.755 -1.216 . . . . 0.0 107.887 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -73.62 -26.83 60.97 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.34 -38.73 87.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.699 -0.626 . . . . 0.0 109.34 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -76.56 -25.51 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.371 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.38 -39.88 74.28 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.614 -1.304 . . . . 0.0 108.417 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -70.0 -38.32 75.92 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.886 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.82 65.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mmm -70.72 -32.91 70.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.127 0.965 . . . . 0.0 108.8 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -60.01 -45.75 91.73 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.672 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.11 -39.32 68.97 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.928 0.87 . . . . 0.0 108.957 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.02 -79.81 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.619 0.723 . . . . 0.0 109.384 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 63.3 t0 -77.7 60.91 2.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.42 -13.71 1.59 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' B' ' 62' ' ' ASP . 59.9 t30 -79.22 -15.83 57.44 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.2 27.2 73.98 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 2.6 p30 -87.0 -5.35 59.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.047 -1.266 . . . . 0.0 109.998 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.68 1.08 65.32 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 40.4 mt-10 -128.12 145.72 50.92 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.405 -1.056 . . . . 0.0 108.643 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -114.1 149.99 16.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-O 121.574 0.702 . . . . 0.0 110.456 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -93.83 20.05 8.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 56.3 t80 66.72 -44.88 0.44 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 122.237 -0.289 . . . . 0.0 111.188 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.58 -38.71 92.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.387 -1.446 . . . . 0.0 109.2 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.781 -1.199 . . . . 0.0 108.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.781 ' O ' HG22 ' B' ' 78' ' ' VAL . 33.9 t80 -67.64 -39.92 84.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -177.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 2.8 p -69.54 -40.98 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.585 -1.322 . . . . 0.0 112.375 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' A' ' 76' ' ' VAL . 72.9 t -69.45 -40.0 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.683 -1.261 . . . . 0.0 111.227 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.64 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -65.58 -56.11 14.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.171 -0.956 . . . . 0.0 111.794 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.781 HG22 ' O ' ' B' ' 74' ' ' PHE . 27.3 m -73.49 -22.18 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.26 -0.9 . . . . 0.0 111.031 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -62.8 -50.6 70.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 108.957 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.0 91.81 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.466 -0.772 . . . . 0.0 111.626 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.27 -50.02 75.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.632 -1.292 . . . . 0.0 111.389 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.0 m -64.16 -40.14 95.49 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 110.865 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.8 t -60.03 -43.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.33 -0.856 . . . . 0.0 109.707 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.33 83.01 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.644 -0.66 . . . . 0.0 109.938 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.005 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -60.04 -40.08 88.13 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.785 -1.197 . . . . 0.0 109.066 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.08 -20.89 61.59 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.188 -0.945 . . . . 0.0 109.228 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.35 -39.94 88.92 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.461 -0.774 . . . . 0.0 109.303 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.485 1.318 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 -179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 3' ' ' GLU . 28.9 t . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.783 0.801 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 12.4 mm-40 -101.64 -58.01 1.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.609 0.718 . . . . 0.0 112.187 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.3 88.9 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.81 -177.386 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -64.91 -40.03 94.43 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.671 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.6 m -62.93 -21.76 66.28 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.66 -35.33 75.07 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.654 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtt -81.54 -34.7 30.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.796 -1.19 . . . . 0.0 110.152 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.11 -28.11 65.13 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 122.495 1.141 . . . . 0.0 108.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -69.72 -58.0 4.44 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.625 -177.501 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.37 -26.98 63.03 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.117 -178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.95 -38.64 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.797 -1.189 . . . . 0.0 109.673 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -70.69 -40.01 73.15 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.878 0.847 . . . . 0.0 110.019 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -29.22 29.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 16.2 t80 -64.3 -40.05 95.16 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -87.84 -6.72 57.97 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.56 28.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.841 -1.162 . . . . 0.0 110.124 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -109.25 -30.18 8.13 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.355 -0.841 . . . . 0.0 111.083 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 96.6 p -60.93 -17.03 48.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.074 -1.016 . . . . 0.0 110.987 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.54 21.43 3.42 Favored Glycine 0 N--CA 1.502 3.043 0 O-C-N 120.947 -1.096 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -72.44 -27.37 62.28 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.155 -1.203 . . . . 0.0 108.199 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 98.9 mt-10 -108.28 -24.95 11.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.778 -0.576 . . . . 0.0 111.06 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.13 -162.52 21.89 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 49.9 37.89 14.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.011 -1.288 . . . . 0.0 108.28 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -81.17 6.01 15.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.726 -0.609 . . . . 0.0 110.317 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -71.05 -18.48 62.56 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -158.3 160.33 36.9 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 28' ' ' LEU . 33.2 tp -82.15 168.69 17.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.638 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 24.9 m -137.46 166.58 23.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.873 -1.142 . . . . 0.0 110.264 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.382 -0.824 . . . . 0.0 111.936 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -74.98 -29.97 61.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.457 -1.402 . . . . 0.0 110.579 -177.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 29' ' ' SER . 47.7 mt-10 -64.7 -51.01 64.68 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.221 -0.925 . . . . 0.0 111.476 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.472 -0.767 . . . . 0.0 111.705 -178.666 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -60.68 -40.07 90.8 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 109.81 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.895 ' O ' HG22 ' A' ' 39' ' ' THR . 57.6 t0 -63.14 -40.03 96.4 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.168 -0.957 . . . . 0.0 109.596 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.89 -39.71 86.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.67 . . . . 0.0 111.009 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.485 -1.385 . . . . 0.0 110.385 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 35' ' ' ASP . 31.5 mt-30 -63.18 -38.97 93.28 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.268 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -75.02 -49.77 18.72 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.384 -1.447 . . . . 0.0 113.208 -177.047 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.554 ' C ' HD12 ' A' ' 41' ' ' LEU . 14.9 mt-10 -109.36 -28.55 8.9 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.624 -1.298 . . . . 0.0 113.153 -176.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.1 mp -111.25 25.6 11.56 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.786 -1.196 . . . . 0.0 111.387 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 p -60.13 -47.31 86.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.519 -1.363 . . . . 0.0 111.407 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.5 m -62.84 -40.08 96.32 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.886 -1.134 . . . . 0.0 111.318 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -79.49 -69.98 0.54 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.679 -1.263 . . . . 0.0 110.228 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 45' ' ' LEU . 11.1 mp -82.85 96.27 8.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.97 98.0 0.05 Allowed 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.386 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.05 -18.21 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -79.88 -70.02 0.54 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 112.928 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.468 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -57.61 -47.15 82.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.892 -1.13 . . . . 0.0 110.297 -176.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ALA . 95.7 m-20 -94.71 76.63 3.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.462 -1.399 . . . . 0.0 109.075 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.54 -23.64 41.43 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -66.06 -35.46 80.6 Favored 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -55.31 -27.44 46.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -79.52 -28.06 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.029 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.66 -40.01 73.27 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.755 -1.216 . . . . 0.0 108.04 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 2.9 mptp? -67.89 -40.34 83.52 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.94 0.876 . . . . 0.0 109.937 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.37 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.2 mmm -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.623 0.725 . . . . 0.0 110.148 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -59.99 -39.92 87.4 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -64.65 -39.0 92.93 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 74' ' ' PHE . 6.6 mp -78.04 -67.66 0.71 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.527 -0.733 . . . . 0.0 109.38 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.1 m-20 -80.9 40.58 0.54 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.371 -0.831 . . . . 0.0 109.195 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.7 -19.64 1.7 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 19.6 m120 -85.26 -3.0 58.67 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.713 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.14 32.05 65.98 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' A' ' 68' ' ' GLU . 7.3 m-20 -80.74 -18.11 48.81 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.152 -1.205 . . . . 0.0 110.177 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 -3.51 2.43 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.389 -1.884 . . . . 0.0 108.389 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.4 mt-10 -130.51 150.02 51.92 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 t -119.98 149.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.757 0.789 . . . . 0.0 111.739 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.5 m-20 -88.99 17.78 5.46 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 78.1 t80 62.92 -37.66 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.235 -0.291 . . . . 0.0 110.47 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.4 mt-30 -67.43 -38.88 85.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.646 -1.284 . . . . 0.0 108.239 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.19 -40.02 88.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 109.074 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.5 t80 -64.82 -47.14 79.09 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.539 -0.725 . . . . 0.0 112.829 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -60.08 -39.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.815 -1.178 . . . . 0.0 111.594 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.22 -39.93 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.527 -1.358 . . . . 0.0 111.123 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.27 -57.18 9.1 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.873 -1.142 . . . . 0.0 111.645 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 74' ' ' PHE . 3.6 m -73.54 -22.45 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.033 -1.042 . . . . 0.0 111.311 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.68 -48.27 72.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.776 -1.202 . . . . 0.0 109.188 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -39.89 75.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 111.461 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD23 ' A' ' 81' ' ' LEU . 8.3 tt -61.41 -51.2 69.76 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.922 -1.111 . . . . 0.0 111.072 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.9 t -63.02 -39.15 93.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.056 -1.027 . . . . 0.0 110.547 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 79' ' ' ALA . 56.1 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.067 -1.02 . . . . 0.0 109.608 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.468 -0.77 . . . . 0.0 111.439 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.2 p -65.2 -40.04 93.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.756 -1.215 . . . . 0.0 109.435 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.517 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 t30 -60.32 -39.88 88.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.492 -0.755 . . . . 0.0 110.402 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -67.55 -36.61 81.3 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 109.017 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.89 -40.38 88.55 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.601 -0.687 . . . . 0.0 110.635 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.426 -0.797 . . . . 0.0 109.995 -178.872 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' OE2' ' B' ' 3' ' ' GLU . 29.4 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.791 0.805 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.406 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 12.5 mm-40 -101.49 -57.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.552 0.691 . . . . 0.0 112.161 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -60.04 -40.51 89.62 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.562 -0.711 . . . . 0.0 109.721 -177.433 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -64.91 -39.97 94.35 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.769 -1.172 . . . . 0.0 108.677 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . 20.8 m -62.88 -21.64 66.14 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -70.07 -35.2 74.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.603 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.6 mtt -81.6 -34.27 31.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.672 -1.268 . . . . 0.0 110.102 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.29 -28.16 64.98 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 122.481 1.134 . . . . 0.0 108.069 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -69.62 -58.39 3.99 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.739 -177.57 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.99 -26.58 63.2 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.015 -1.053 . . . . 0.0 111.023 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -71.67 -37.76 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.769 -1.207 . . . . 0.0 109.771 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.39 -40.04 70.79 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.908 0.861 . . . . 0.0 109.954 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -28.75 27.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 16.5 t80 -64.47 -40.03 94.93 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.2 -5.94 58.12 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.62 26.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.87 -1.143 . . . . 0.0 110.054 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.0 -30.3 8.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.233 -0.917 . . . . 0.0 111.046 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 94.0 p -60.68 -17.49 48.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.06 -1.025 . . . . 0.0 110.979 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.21 21.48 3.48 Favored Glycine 0 N--CA 1.503 3.102 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.436 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -72.3 -27.41 62.43 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.192 -1.181 . . . . 0.0 108.28 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.46 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 98.7 mt-10 -108.31 -24.85 11.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.79 -0.568 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.8 -162.65 21.64 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 108.315 -1.914 . . . . 0.0 108.315 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 49.99 37.74 14.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.026 -1.279 . . . . 0.0 108.247 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -81.08 5.84 15.43 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.84 -18.91 62.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -158.08 160.07 36.97 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' B' ' 29' ' ' SER . 34.6 tp -82.16 168.73 17.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.803 -1.185 . . . . 0.0 108.548 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.546 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 31.0 m -137.27 166.65 23.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.822 -1.173 . . . . 0.0 110.273 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -59.99 -40.05 87.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.454 -0.779 . . . . 0.0 111.845 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.46 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -75.0 -29.61 60.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.562 -1.336 . . . . 0.0 110.718 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 29' ' ' SER . 47.7 mt-10 -64.95 -50.95 64.41 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.266 -0.896 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.06 -35.04 76.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.584 -0.698 . . . . 0.0 111.704 -178.659 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -60.8 -40.46 92.73 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 120.864 -1.147 . . . . 0.0 109.737 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.905 ' O ' HG22 ' B' ' 39' ' ' THR . 58.6 t0 -62.74 -40.06 96.05 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.08 -1.013 . . . . 0.0 109.681 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.529 -0.732 . . . . 0.0 111.003 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.0 -40.04 63.21 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 120.531 -1.356 . . . . 0.0 110.383 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' B' ' 35' ' ' ASP . 31.4 mt-30 -63.09 -39.3 94.31 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.293 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.905 HG22 ' O ' ' B' ' 35' ' ' ASP . 0.0 OUTLIER -74.79 -49.57 20.33 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.336 -1.477 . . . . 0.0 113.264 -177.156 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.6 mt-10 -109.12 -29.01 8.75 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.581 -1.324 . . . . 0.0 113.275 -176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.0 mp -111.25 25.84 11.3 Favored 'General case' 0 N--CA 1.52 3.066 0 O-C-N 120.728 -1.232 . . . . 0.0 111.393 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p -59.95 -47.8 84.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.553 -1.342 . . . . 0.0 111.415 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.826 -1.171 . . . . 0.0 111.479 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -79.63 -70.04 0.54 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.843 -1.16 . . . . 0.0 110.301 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.505 HD12 ' N ' ' B' ' 45' ' ' LEU . 11.2 mp -83.1 96.78 8.49 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.48 98.12 0.06 Allowed 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.6 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -115.12 -17.95 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -80.08 -69.98 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.013 -1.054 . . . . 0.0 113.012 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.49 -47.05 82.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.033 . . . . 0.0 110.341 -177.065 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.0 m-20 -94.74 76.16 3.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.468 -1.395 . . . . 0.0 109.109 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.1 -23.98 37.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.03 -35.41 80.47 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -55.59 -26.74 45.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -80.02 -27.81 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 110.263 -179.58 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -70.78 -40.04 72.83 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.781 -1.199 . . . . 0.0 108.04 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 2.7 mptp? -67.88 -40.61 83.51 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 122.005 0.907 . . . . 0.0 109.842 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -39.45 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.41 -28.57 62.07 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.575 -0.703 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -59.97 -40.02 87.65 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.41 -39.86 94.66 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 74' ' ' PHE . 6.6 mp -77.36 -67.68 0.69 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.54 -0.725 . . . . 0.0 109.574 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 93.2 m-20 -81.01 40.92 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.307 -0.871 . . . . 0.0 109.145 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -51.93 -19.44 1.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' B' ' 62' ' ' ASP . 20.0 m120 -85.45 -2.94 58.65 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.751 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.96 32.2 66.38 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 7.9 m-20 -80.84 -18.35 47.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -1.17 . . . . 0.0 110.134 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.22 -3.06 2.56 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.6 mt-10 -130.66 150.01 52.04 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 t -120.05 149.53 22.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-O 121.775 0.798 . . . . 0.0 111.747 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' GLN . 50.6 m-20 -88.7 17.59 5.4 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.63 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 78.3 t80 63.16 -37.71 0.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 122.168 -0.332 . . . . 0.0 110.515 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-30 -67.37 -38.94 85.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.564 -1.335 . . . . 0.0 108.196 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.24 -40.11 89.09 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.968 -1.083 . . . . 0.0 109.101 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.8 t80 -64.49 -47.49 78.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.39 -0.819 . . . . 0.0 112.846 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.9 p -59.99 -39.99 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 111.473 -176.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -40.09 80.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.275 . . . . 0.0 111.306 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.75 -57.43 8.03 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.832 -1.168 . . . . 0.0 111.609 -177.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.6 m -72.91 -22.5 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.065 -1.022 . . . . 0.0 111.348 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -66.19 -47.38 74.11 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.732 -1.23 . . . . 0.0 109.321 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.66 72.73 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 111.221 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 81' ' ' LEU . 8.3 tt -61.19 -51.71 67.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.943 -1.098 . . . . 0.0 111.066 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 83' ' ' VAL . 13.5 t -62.36 -39.61 93.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.914 -1.117 . . . . 0.0 110.423 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 51.5 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.128 -0.982 . . . . 0.0 109.551 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.46 89.53 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.415 -0.803 . . . . 0.0 111.24 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.0 p -64.72 -39.98 94.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.65 -1.281 . . . . 0.0 109.483 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 t30 -60.58 -40.04 90.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.352 -0.843 . . . . 0.0 110.471 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -67.24 -36.85 82.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.159 -0.963 . . . . 0.0 109.105 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.0 -40.12 88.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.659 . . . . 0.0 110.623 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.025 -179.066 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.3 p . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.76 -48.93 79.58 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.283 -0.885 . . . . 0.0 109.501 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -73.35 -39.97 64.79 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -63.07 -22.76 67.08 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -68.01 -39.73 83.11 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.369 -0.832 . . . . 0.0 109.779 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.51 -35.81 53.12 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.703 -1.248 . . . . 0.0 110.853 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.35 -32.77 70.61 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.285 -0.884 . . . . 0.0 110.834 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 7' ' ' ALA . 11.7 t -76.82 -45.53 28.27 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.233 -0.917 . . . . 0.0 111.736 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -71.28 -27.02 63.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.311 -1.493 . . . . 0.0 109.425 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.422 HD13 HD22 ' B' ' 86' ' ' ASN . 82.0 mt -74.47 -35.27 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.849 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.47 -42.84 70.88 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.992 0.901 . . . . 0.0 109.946 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.94 -32.94 53.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 64.3 t80 -60.92 -40.01 91.53 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -85.11 -11.49 55.05 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.94 57.66 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.171 -0.955 . . . . 0.0 109.781 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 58.2 t-80 -101.19 -36.48 8.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.267 -0.895 . . . . 0.0 110.907 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 m -55.65 -30.82 61.66 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.165 -0.959 . . . . 0.0 110.282 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.75 2.59 70.01 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -81.53 -26.26 35.23 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.496 -1.002 . . . . 0.0 109.749 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -96.95 -4.95 39.04 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.293 -0.879 . . . . 0.0 111.313 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 92.48 -12.38 69.87 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 27' ' ' LYS . 87.4 m-20 -87.03 37.82 0.78 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' GLY . 26.9 ttpt -56.12 -12.32 1.47 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.127 -178.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 64.2 t80 -88.26 -12.27 44.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.781 -1.199 . . . . 0.0 109.642 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.3 ttpm? -161.41 162.59 30.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.5 tp -81.97 162.65 22.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.849 -1.157 . . . . 0.0 108.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 7.4 m -131.9 163.81 27.48 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.163 -0.961 . . . . 0.0 109.11 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.933 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.71 -34.68 62.63 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.717 -1.24 . . . . 0.0 110.388 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 92.1 mt-10 -60.12 -49.67 76.74 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.466 -0.771 . . . . 0.0 111.193 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -68.06 -30.76 70.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.911 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.99 -39.96 93.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.834 -1.166 . . . . 0.0 109.473 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 92.4 m-20 -63.73 -40.07 95.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.371 -0.83 . . . . 0.0 110.298 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.87 -40.01 94.46 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.176 -0.953 . . . . 0.0 111.145 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' SER . 17.9 mt -73.85 -42.53 60.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.786 -1.197 . . . . 0.0 111.445 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -72.53 -16.95 61.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.401 -0.812 . . . . 0.0 109.617 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.9 p -84.37 -57.01 3.33 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.079 -1.013 . . . . 0.0 111.154 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 13.2 mt-10 -110.35 -29.9 7.92 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.054 -1.029 . . . . 0.0 112.395 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.27 24.54 12.86 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.883 -1.135 . . . . 0.0 109.838 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' LEU . 3.7 p -60.06 -45.67 92.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.9 m -63.18 -41.82 99.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.851 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -70.0 0.55 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.082 -1.011 . . . . 0.0 110.539 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.1 mm? -77.19 87.27 3.64 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -51.85 106.16 0.14 Allowed 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.06 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.9 -19.87 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.517 -0.74 . . . . 0.0 109.734 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.31 -60.84 1.96 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.98 . . . . 0.0 112.142 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.97 -46.65 88.74 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.918 -1.114 . . . . 0.0 110.105 -177.312 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 88.0 m-20 -97.42 77.25 2.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.469 -1.395 . . . . 0.0 109.697 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.62 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.35 -19.41 14.44 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.67 -27.63 61.34 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.74 -32.79 73.05 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.498 -0.751 . . . . 0.0 109.679 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.4 p -79.83 -29.56 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 119.212 -0.995 . . . . 0.0 109.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.71 -40.08 94.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.724 -1.235 . . . . 0.0 108.057 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.48 -39.93 73.93 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.508 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 61' ' ' LEU . 5.1 ppp? -81.99 -32.87 30.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.667 -1.27 . . . . 0.0 110.101 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' ' SD ' ' A' ' 58' ' ' MET . 36.1 ttpt -60.08 -43.83 95.2 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.069 -1.019 . . . . 0.0 111.022 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.94 -40.02 87.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.81 . . . . 0.0 111.805 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.021 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -94.44 -22.66 18.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.873 -1.142 . . . . 0.0 110.342 -178.262 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 1.021 ' N ' HD23 ' A' ' 61' ' ' LEU . 27.3 t70 -83.38 46.26 1.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.81 -1.181 . . . . 0.0 108.473 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.97 -13.83 3.05 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -75.57 -4.0 37.44 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.9 23.41 1.04 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 28.0 p-10 -90.22 1.35 56.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -1.001 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.78 10.14 7.97 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.7 mt-10 -130.73 146.58 52.23 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 71' ' ' PHE . 23.7 t -115.69 137.32 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 CA-C-O 121.754 0.788 . . . . 0.0 110.319 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.2 m-20 -78.28 15.11 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 40.3 t80 62.07 -43.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 95.9 mt-30 -60.1 -39.88 87.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.266 -1.521 . . . . 0.0 108.026 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 61' ' ' LEU . 75.7 mt-10 -60.19 -39.94 88.3 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -60.15 -44.51 94.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.72 -0.612 . . . . 0.0 111.486 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.99 -40.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.73 -1.231 . . . . 0.0 110.987 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.35 -39.95 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.111 -1.618 . . . . 0.0 111.216 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -57.68 4.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.992 -1.068 . . . . 0.0 112.789 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.77 HG21 ' CE2' ' A' ' 74' ' ' PHE . 24.0 m -77.96 -25.01 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.384 -0.822 . . . . 0.0 112.45 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.04 73.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.288 -1.507 . . . . 0.0 109.093 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.206 -0.934 . . . . 0.0 111.003 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -65.15 -49.13 71.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.963 -1.085 . . . . 0.0 110.745 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.8 t -67.31 -40.01 85.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.835 -1.165 . . . . 0.0 111.668 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' N ' HG23 ' A' ' 82' ' ' THR . 55.3 t -63.31 -47.03 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 110.186 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.12 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.796 -0.565 . . . . 0.0 110.187 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.98 -40.01 95.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 111.239 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.414 HD22 HD13 ' B' ' 12' ' ' ILE . 50.5 t-20 -60.08 -47.83 84.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.006 -1.059 . . . . 0.0 110.996 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 27.4 p30 -81.03 -14.74 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.019 -1.051 . . . . 0.0 110.316 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -88.63 -16.38 32.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.377 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.3 t80 . . . . . 0 N--CA 1.487 1.394 0 O-C-N 121.034 -1.041 . . . . 0.0 109.716 -179.735 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 7.3 p . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.88 -49.01 79.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.288 -0.883 . . . . 0.0 109.403 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.2 tt -73.2 -39.9 65.19 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.72 -40.0 95.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.1 m -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -67.9 -39.73 83.58 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.443 -0.785 . . . . 0.0 109.836 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.482 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -77.68 -35.74 51.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.733 -1.229 . . . . 0.0 110.815 -179.313 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.52 -32.74 70.32 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.21 -0.931 . . . . 0.0 110.806 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 7' ' ' ALA . 11.5 t -76.72 -45.63 28.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' HG23 ' B' ' 10' ' ' THR . 3.1 pp -71.18 -26.99 63.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.283 -1.511 . . . . 0.0 109.41 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.414 HD13 HD22 ' A' ' 86' ' ' ASN . 81.9 mt -74.66 -35.0 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.949 -1.094 . . . . 0.0 109.925 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -71.09 -42.63 69.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.254 -0.904 . . . . 0.0 109.907 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.99 -32.84 52.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 63.8 t80 -61.01 -40.02 91.97 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -84.9 -11.6 55.25 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.44 -40.06 58.09 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.537 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 58.1 t-80 -100.75 -36.79 8.98 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 110.947 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.1 m -55.65 -30.71 61.47 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.174 -0.954 . . . . 0.0 110.401 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.69 2.42 69.97 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.49 -26.09 35.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.571 -0.958 . . . . 0.0 109.718 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -97.0 -5.02 38.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.249 -0.907 . . . . 0.0 111.222 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 92.55 -12.37 69.93 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' B' ' 27' ' ' LYS . 87.6 m-20 -86.93 37.71 0.77 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 23' ' ' GLY . 26.9 ttpt -56.15 -12.29 1.47 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.224 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -88.1 -12.47 44.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.695 -1.253 . . . . 0.0 109.643 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.2 ttpm? -161.35 162.62 30.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.425 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' B' ' 33' ' ' LEU . 35.8 tp -81.88 162.43 22.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.782 -1.199 . . . . 0.0 108.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 6.5 m -131.57 163.91 26.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.066 -1.021 . . . . 0.0 109.077 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.16 87.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.047 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -75.0 -34.37 61.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 110.385 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 92.4 mt-10 -60.37 -49.38 77.81 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.428 -0.795 . . . . 0.0 111.09 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -68.23 -30.86 70.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.391 -0.818 . . . . 0.0 110.894 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.93 -40.01 94.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.768 -1.207 . . . . 0.0 109.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.634 ' O ' HG23 ' B' ' 39' ' ' THR . 92.8 m-20 -63.51 -39.91 95.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 0.0 110.601 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -39.98 92.62 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.2 mt -73.53 -42.88 61.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.696 -1.253 . . . . 0.0 111.499 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -72.42 -16.58 61.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 109.713 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.634 HG23 ' O ' ' B' ' 35' ' ' ASP . 7.0 p -84.76 -56.89 3.35 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.188 -0.945 . . . . 0.0 111.115 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.3 mt-10 -110.33 -29.89 7.93 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.112 -0.992 . . . . 0.0 112.306 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -110.25 24.24 13.25 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.874 -1.141 . . . . 0.0 109.896 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.544 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.9 p -60.01 -45.56 92.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.119 -0.988 . . . . 0.0 111.024 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.1 m -63.28 -41.69 99.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.976 . . . . 0.0 110.983 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 110.418 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.479 ' N ' HD22 ' B' ' 45' ' ' LEU . 4.1 mm? -77.17 87.4 3.63 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.09 105.96 0.13 Allowed 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.113 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -123.53 -19.95 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.46 -0.775 . . . . 0.0 109.773 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.17 -60.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.126 -0.984 . . . . 0.0 112.169 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.03 -46.04 90.83 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.862 -1.149 . . . . 0.0 110.167 -177.338 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.6 m-20 -98.07 76.91 2.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.431 -1.418 . . . . 0.0 109.644 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.608 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -55.99 -19.26 11.86 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -73.95 -27.78 61.18 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.28 -33.44 73.56 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.543 -0.723 . . . . 0.0 109.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.608 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -79.57 -29.45 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.949 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.757 -1.215 . . . . 0.0 108.118 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.59 -40.02 73.49 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.868 -0.52 . . . . 0.0 110.681 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.508 ' HA ' HD22 ' B' ' 61' ' ' LEU . 5.1 ppp? -81.87 -32.93 30.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.0 110.084 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.464 ' N ' ' SD ' ' B' ' 58' ' ' MET . 36.1 ttpt -60.03 -43.87 95.03 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.106 -0.997 . . . . 0.0 110.944 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.07 -39.95 86.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.473 -0.767 . . . . 0.0 111.793 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 1.017 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -94.39 -22.55 18.24 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.869 -1.145 . . . . 0.0 110.366 -178.293 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 1.017 ' N ' HD23 ' B' ' 61' ' ' LEU . 27.4 t70 -83.44 46.59 1.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.828 -1.17 . . . . 0.0 108.385 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.37 -13.59 3.62 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 66' ' ' ASP . 54.6 t-20 -75.75 -4.33 39.85 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.41 22.99 1.13 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 28.0 p-10 -89.94 1.08 56.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.532 -0.981 . . . . 0.0 110.422 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.03 9.96 8.26 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.7 mt-10 -130.61 146.67 52.17 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.527 HG12 ' H ' ' B' ' 71' ' ' PHE . 25.7 t -115.82 137.25 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 CA-C-O 121.68 0.753 . . . . 0.0 110.229 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.1 m-20 -78.32 15.24 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.597 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 41.0 t80 61.97 -43.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 70' ' ' ASP . 95.8 mt-30 -60.09 -39.85 87.56 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.304 -1.498 . . . . 0.0 108.145 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.41 ' C ' HD12 ' B' ' 61' ' ' LEU . 75.4 mt-10 -60.17 -40.01 88.47 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 108.62 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.791 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.0 t80 -59.92 -44.67 94.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.666 -0.646 . . . . 0.0 111.644 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -39.91 81.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 120.659 -1.276 . . . . 0.0 110.871 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 120.406 -1.434 . . . . 0.0 111.071 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -57.9 4.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.967 -1.083 . . . . 0.0 112.915 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.791 HG21 ' CE2' ' B' ' 74' ' ' PHE . 26.6 m -77.85 -24.91 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 0.0 112.402 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.24 -41.82 73.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.392 -1.442 . . . . 0.0 109.125 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.99 74.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.92 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -65.03 -49.06 71.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.09 -1.006 . . . . 0.0 110.759 -178.269 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.429 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.0 t -67.42 -40.39 85.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.836 -1.165 . . . . 0.0 111.578 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.429 ' N ' HG23 ' B' ' 82' ' ' THR . 55.1 t -62.91 -47.3 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.127 -0.983 . . . . 0.0 110.139 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.1 90.47 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.745 -0.597 . . . . 0.0 110.201 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.99 -39.98 95.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.425 -0.797 . . . . 0.0 111.31 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.422 HD22 HD13 ' A' ' 12' ' ' ILE . 50.1 t-20 -60.06 -47.69 84.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.049 -1.032 . . . . 0.0 111.084 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -81.2 -15.08 56.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.996 -1.065 . . . . 0.0 110.245 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -88.38 -16.28 33.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.307 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.043 -1.036 . . . . 0.0 109.564 -179.626 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 121.517 0.675 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 9.2 mt-10 -103.23 -58.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.682 . . . . 0.0 111.923 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -60.05 -41.19 91.8 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.189 -0.944 . . . . 0.0 110.007 -178.027 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -65.99 -40.04 90.84 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.557 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 10' ' ' THR . 6.5 m -59.28 -23.06 62.09 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -67.16 -37.66 84.13 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -80.7 -34.76 34.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.783 -1.198 . . . . 0.0 110.617 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.471 ' OE1' ' ND2' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -70.01 -31.51 69.22 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.26 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 11' ' ' LEU . 7.4 t -77.79 -50.65 11.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.315 -0.865 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.561 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -66.29 -28.52 68.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.317 -1.489 . . . . 0.0 109.176 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -72.35 -34.28 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.47 -1.394 . . . . 0.0 109.858 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' OE1' ' A' ' 9' ' ' GLU . 75.9 m-20 -70.32 -44.18 68.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.539 -0.726 . . . . 0.0 111.02 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -70.84 -31.07 44.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -62.53 -39.93 95.16 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.65 -8.18 58.38 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.3 28.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.503 -0.748 . . . . 0.0 109.705 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 20' ' ' GLY . 97.2 m-70 -113.72 -9.46 13.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.508 -0.745 . . . . 0.0 111.163 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 1.5 t -43.58 -18.1 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.239 -0.913 . . . . 0.0 110.412 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . 139.49 31.29 0.19 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -58.76 -24.81 62.29 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.07 0.02 57.35 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.659 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.79 -106.29 0.19 Allowed Glycine 0 N--CA 1.492 2.397 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.715 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.7 p-10 -79.61 80.33 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.316 -1.108 . . . . 0.0 110.568 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.37 9.03 7.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.85 . . . . 0.0 109.818 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 54.6 t80 -89.79 -9.95 47.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.125 -0.984 . . . . 0.0 109.472 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -158.29 160.04 36.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 108.946 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -80.98 160.65 24.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.984 -1.072 . . . . 0.0 108.908 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -137.62 168.29 19.97 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.794 -1.191 . . . . 0.0 110.331 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.76 -40.02 86.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.457 -0.777 . . . . 0.0 112.415 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.02 -29.04 43.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.189 -1.57 . . . . 0.0 109.751 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 19' ' ' SER . 95.9 mt-10 -67.09 -45.55 76.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 111.022 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.1 pp -69.95 -35.59 74.62 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.298 -0.876 . . . . 0.0 110.46 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 49.4 tttm -60.31 -34.53 73.93 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.052 -1.03 . . . . 0.0 109.229 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 39' ' ' THR . 44.2 t0 -67.65 -41.0 84.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.698 -1.252 . . . . 0.0 109.658 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.12 -43.54 95.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.75 . . . . 0.0 111.718 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -76.92 -40.0 48.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.76 -1.213 . . . . 0.0 110.821 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.5 mt-30 -70.03 -19.98 63.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.757 0.789 . . . . 0.0 109.123 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 35' ' ' ASP . 4.7 p -80.84 -60.44 2.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.361 -0.837 . . . . 0.0 112.071 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.4 mt-10 -111.1 -29.95 7.67 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.947 -1.096 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -109.06 28.5 8.43 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.065 -1.022 . . . . 0.0 110.16 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 37' ' ' LEU . 20.6 p -62.9 -40.81 98.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.114 -0.991 . . . . 0.0 111.506 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -73.6 -38.8 65.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.964 -1.085 . . . . 0.0 112.005 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.98 -63.92 1.25 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.684 -1.26 . . . . 0.0 109.868 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -80.67 99.0 7.95 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.01 132.95 55.52 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.649 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.87 -31.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.082 -1.011 . . . . 0.0 110.081 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.02 -59.98 2.58 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.2 -0.937 . . . . 0.0 111.934 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.63 -41.7 99.17 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.504 -0.748 . . . . 0.0 110.514 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 53' ' ' ALA . 3.9 p30 -101.33 72.6 1.44 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.862 -1.149 . . . . 0.0 109.359 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.16 -22.13 3.97 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.692 -1.255 . . . . 0.0 107.748 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -70.4 -27.23 64.13 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -63.06 -31.1 72.16 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -76.79 -30.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 109.116 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -66.91 -40.04 87.58 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.106 -0.996 . . . . 0.0 108.869 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -70.09 -39.91 75.28 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.056 0.931 . . . . 0.0 110.388 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -40.09 87.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.478 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.468 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 60.7 mtp -76.59 -37.46 56.45 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.078 0.942 . . . . 0.0 111.213 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.0 -34.33 73.19 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 122.839 1.304 . . . . 0.0 108.274 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.01 -49.92 75.77 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.648 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.806 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -110.28 -18.77 13.2 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.196 -0.94 . . . . 0.0 110.832 -178.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 64' ' ' ASN . 10.4 t0 -84.32 26.68 0.75 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' LEU . 44.8 mt-10 -50.08 -8.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.731 -0.606 . . . . 0.0 110.035 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 62' ' ' ASP . 48.8 t-20 -74.51 -5.92 45.48 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.161 -0.962 . . . . 0.0 108.688 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.42 21.47 48.61 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 68' ' ' GLU . 49.4 p-10 -90.17 0.01 57.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -1.015 . . . . 0.0 110.412 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.45 8.43 1.8 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 66' ' ' ASP . 50.9 mt-10 -130.3 139.91 50.69 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 71' ' ' PHE . 20.9 t -110.6 140.05 31.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-O 121.427 0.632 . . . . 0.0 110.375 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLN . 92.6 m-20 -74.27 15.14 0.35 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.418 -0.801 . . . . 0.0 109.729 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 70.1 t80 63.75 -48.17 0.26 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 122.025 -0.422 . . . . 0.0 110.629 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ASP . 62.9 tp60 -60.06 -37.99 81.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 107.835 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.622 ' HB3' HD12 ' A' ' 61' ' ' LEU . 87.6 mt-10 -59.94 -45.51 92.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 108.988 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' O ' HG22 ' A' ' 78' ' ' VAL . 92.1 t80 -60.02 -43.56 95.18 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -59.99 -39.95 81.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 120.704 -1.247 . . . . 0.0 110.235 -177.091 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.89 -40.01 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.59 -1.319 . . . . 0.0 111.663 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.76 -56.62 11.03 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.778 -1.201 . . . . 0.0 112.337 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 74' ' ' PHE . 13.1 m -73.82 -21.52 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.024 -1.048 . . . . 0.0 111.538 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.45 -50.57 58.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.875 -1.141 . . . . 0.0 109.744 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.07 83.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.405 -0.809 . . . . 0.0 111.304 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.42 -49.88 75.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 0.0 110.98 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.443 ' OG1' HD21 ' A' ' 45' ' ' LEU . 91.0 m -67.52 -40.13 85.08 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.27 -0.894 . . . . 0.0 112.021 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.83 -45.56 98.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.284 -0.885 . . . . 0.0 110.001 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.02 91.26 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.536 -0.727 . . . . 0.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.51 -39.96 89.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.066 -1.021 . . . . 0.0 110.414 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.89 -40.07 96.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.168 -0.958 . . . . 0.0 110.666 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.32 -39.98 94.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.045 -1.034 . . . . 0.0 109.716 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.26 -40.12 96.52 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.118 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 t80 . . . . . 0 C--N 1.304 -1.388 0 O-C-N 121.064 -1.023 . . . . 0.0 108.588 179.199 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.543 0.687 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 9.8 mt-10 -102.84 -58.16 1.92 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.632 -0.667 . . . . 0.0 111.961 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 1.0 OUTLIER -60.02 -41.25 91.75 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.229 -0.919 . . . . 0.0 110.019 -177.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -65.97 -39.82 90.71 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.977 -1.489 . . . . 0.0 108.575 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.445 ' O ' HG22 ' B' ' 10' ' ' THR . 7.1 m -59.41 -22.98 62.23 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.35 -37.61 83.52 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.404 0.621 . . . . 0.0 110.178 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.0 mmm -80.64 -34.89 34.59 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.808 -1.182 . . . . 0.0 110.589 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.46 ' OE1' ' ND2' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -70.05 -31.19 68.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.164 -0.96 . . . . 0.0 110.268 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.546 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.5 t -78.03 -50.83 11.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.277 -0.889 . . . . 0.0 111.035 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.546 ' N ' HG23 ' B' ' 10' ' ' THR . 2.2 pp -66.09 -28.55 68.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.322 -1.486 . . . . 0.0 109.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.47 -34.17 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.485 -1.385 . . . . 0.0 109.941 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' OE1' ' B' ' 9' ' ' GLU . 76.4 m-20 -70.91 -43.58 68.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.254 -0.904 . . . . 0.0 111.075 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.67 -31.34 45.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 2.0 t80 -62.38 -39.98 94.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -85.75 -7.91 58.47 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.13 -36.51 27.41 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.461 -0.774 . . . . 0.0 109.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 20' ' ' GLY . 97.4 m-70 -113.42 -9.51 13.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.172 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.5 t -43.74 -17.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.19 -0.944 . . . . 0.0 110.317 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 18' ' ' HIS . . . 139.43 31.53 0.19 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -58.95 -24.85 62.96 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.01 0.02 57.34 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.617 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.84 -106.29 0.19 Allowed Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.798 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 29.1 p-10 -79.59 80.65 5.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.21 -1.171 . . . . 0.0 110.491 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -81.51 8.99 8.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.399 -0.813 . . . . 0.0 109.809 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -89.88 -9.96 47.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.037 -1.04 . . . . 0.0 109.514 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.37 160.02 36.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 108.781 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' B' ' 33' ' ' LEU . 37.2 tp -80.97 160.78 24.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.999 -1.063 . . . . 0.0 108.805 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -137.09 169.03 18.46 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.869 -1.144 . . . . 0.0 110.264 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.1 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.669 -0.644 . . . . 0.0 112.514 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -28.88 41.84 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.289 -1.507 . . . . 0.0 109.818 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 19' ' ' SER . 95.9 mt-10 -67.13 -45.62 76.57 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 110.981 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.97 -35.82 74.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.238 -0.914 . . . . 0.0 110.498 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.8 tttm -60.14 -34.49 73.62 Favored 'General case' 0 C--O 1.196 -1.754 0 O-C-N 121.107 -0.996 . . . . 0.0 109.253 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 44.8 t0 -67.76 -40.07 84.08 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.69 -1.256 . . . . 0.0 109.858 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -43.37 98.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.422 -0.799 . . . . 0.0 111.727 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' B' ' 42' ' ' SER . 38.2 mt -76.86 -40.03 49.06 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.809 -1.182 . . . . 0.0 110.764 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.5 mt-30 -70.01 -20.15 63.29 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.635 0.731 . . . . 0.0 109.181 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -80.63 -60.51 2.28 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.51 -0.744 . . . . 0.0 112.047 -178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.4 mt-10 -111.17 -29.9 7.67 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.861 -1.149 . . . . 0.0 111.974 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -109.09 28.05 8.89 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.049 -1.032 . . . . 0.0 110.225 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 37' ' ' LEU . 19.8 p -62.49 -40.79 97.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.159 -0.963 . . . . 0.0 111.577 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -73.59 -38.99 64.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.924 -1.11 . . . . 0.0 111.913 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.99 -63.94 1.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.757 -1.214 . . . . 0.0 109.968 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.598 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.1 mm? -80.69 99.04 7.98 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.0 133.14 55.81 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.617 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -155.81 -31.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.052 -1.03 . . . . 0.0 109.997 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.03 -59.98 2.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.083 -1.01 . . . . 0.0 111.952 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -62.86 -41.08 99.24 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.512 -0.742 . . . . 0.0 110.547 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 53' ' ' ALA . 3.8 p30 -101.56 72.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.756 -1.215 . . . . 0.0 109.433 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.432 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -51.97 -22.14 3.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.62 -1.3 . . . . 0.0 107.792 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' B' ' 50' ' ' ASP . 90.4 m-20 -70.42 -27.34 64.2 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.93 -31.45 72.54 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.432 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -76.44 -31.19 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.931 . . . . 0.0 109.069 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -66.74 -40.02 88.16 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 121.132 -0.98 . . . . 0.0 108.964 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -70.16 -39.92 75.05 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.375 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -39.94 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 62' ' ' ASP . 62.6 mtp -76.41 -37.44 57.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.054 0.93 . . . . 0.0 111.212 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.08 -34.37 73.35 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.796 1.284 . . . . 0.0 108.256 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.99 -49.9 75.85 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.624 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.815 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -110.4 -18.79 13.16 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' B' ' 64' ' ' ASN . 10.5 t0 -84.33 26.42 0.77 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' B' ' 61' ' ' LEU . 45.0 mt-10 -49.84 -8.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.825 -0.547 . . . . 0.0 110.121 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' B' ' 62' ' ' ASP . 48.8 t-20 -74.47 -6.65 49.54 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 108.733 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.96 21.64 52.99 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' B' ' 68' ' ' GLU . 49.8 p-10 -90.28 -0.04 57.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.433 -1.039 . . . . 0.0 110.405 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.56 8.21 1.8 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' B' ' 66' ' ' ASP . 50.3 mt-10 -130.12 139.83 50.86 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -110.46 140.02 31.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.38 0.61 . . . . 0.0 110.522 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 72' ' ' GLN . 92.4 m-20 -74.28 15.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 109.82 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 70.0 t80 63.75 -48.27 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 122.013 -0.429 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 62.3 tp60 -59.98 -38.12 81.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.578 -1.326 . . . . 0.0 107.77 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.626 ' HB3' HD12 ' B' ' 61' ' ' LEU . 87.5 mt-10 -59.94 -45.5 92.42 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 108.931 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.621 ' O ' HG22 ' B' ' 78' ' ' VAL . 91.9 t80 -59.97 -43.71 94.93 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -59.97 -39.97 81.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.512 -1.367 . . . . 0.0 110.223 -177.159 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.59 -40.02 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.9 -1.125 . . . . 0.0 111.648 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.84 -56.76 10.19 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 112.482 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.621 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.4 m -73.86 -21.25 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 111.51 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.61 -50.44 58.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.135 . . . . 0.0 109.734 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.99 82.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 111.273 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.44 -49.9 75.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.812 -1.18 . . . . 0.0 111.123 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.457 ' OG1' HD21 ' B' ' 45' ' ' LEU . 91.0 m -67.28 -41.27 85.73 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 111.776 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.76 -45.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 121.242 -0.911 . . . . 0.0 109.879 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.28 92.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.505 -0.747 . . . . 0.0 110.283 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 81.0 m -60.31 -40.07 89.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 110.398 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.7 -40.01 95.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.934 . . . . 0.0 110.735 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.3 -40.01 95.06 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.125 -0.984 . . . . 0.0 109.713 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -63.46 -40.06 96.12 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.006 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.051 -1.03 . . . . 0.0 108.612 179.242 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 19.0 m . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.01 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.261 -0.899 . . . . 0.0 109.282 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.5 tt -71.22 -39.44 71.72 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.06 -39.96 94.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -64.51 -22.6 67.01 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.66 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.42 -38.87 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.227 -0.921 . . . . 0.0 109.466 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.465 ' SD ' HG21 ' B' ' 82' ' ' THR . 62.9 mtm -78.1 -34.27 50.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.827 -1.171 . . . . 0.0 110.641 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 5.6 pt-20 -70.71 -32.95 70.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.962 -1.086 . . . . 0.0 110.654 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.65 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 11.3 t -77.37 -45.14 26.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.248 -0.908 . . . . 0.0 111.903 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 10' ' ' THR . 3.0 pp -70.93 -28.43 64.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.208 -1.558 . . . . 0.0 108.835 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.29 -37.35 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.144 -0.972 . . . . 0.0 109.777 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 15.1 m120 -70.02 -40.09 75.42 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.983 0.897 . . . . 0.0 110.109 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -32.01 42.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.2 t80 -62.99 -39.91 96.16 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.06 -9.62 54.99 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.0 51.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.644 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -103.69 -39.98 6.47 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.428 -0.795 . . . . 0.0 110.44 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 t -65.93 -23.49 66.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.106 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.1 -7.7 67.63 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -71.21 -31.81 68.06 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.762 -0.846 . . . . 0.0 108.728 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' ASP . 98.5 mt-10 -94.18 112.45 24.26 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -31.02 -31.66 0.01 OUTLIER Glycine 0 N--CA 1.502 3.098 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 22' ' ' GLU . 91.8 m-20 -71.41 47.4 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.725 -1.456 . . . . 0.0 107.733 178.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 28.3 mtmm -61.55 6.51 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.854 -0.529 . . . . 0.0 111.078 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ASP . 80.7 m-85 -86.75 -10.07 54.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.512 -1.367 . . . . 0.0 109.785 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.18 161.11 30.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.873 -1.142 . . . . 0.0 110.662 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 29' ' ' SER . 47.3 tp -83.29 166.24 18.68 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.523 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 41.1 t -137.07 164.54 28.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.798 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.294 -0.878 . . . . 0.0 111.199 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -70.53 -35.18 73.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.865 -1.147 . . . . 0.0 109.993 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 29' ' ' SER . 74.0 mt-10 -63.72 -50.08 70.55 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.294 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -66.34 -30.22 70.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.175 -0.953 . . . . 0.0 110.112 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 28.7 tptp -60.6 -39.98 90.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.304 -0.873 . . . . 0.0 109.539 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 39' ' ' THR . 47.2 t0 -68.91 -40.03 79.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.643 -0.661 . . . . 0.0 110.714 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.82 -40.04 91.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.268 -0.895 . . . . 0.0 111.432 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' CB ' HG11 ' A' ' 47' ' ' VAL . 24.7 mt -74.37 -44.09 53.66 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.893 -1.13 . . . . 0.0 111.345 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 13.4 pt20 -69.99 -20.05 63.31 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.396 -0.815 . . . . 0.0 109.389 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.1 p -81.59 -57.1 3.61 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.222 -0.924 . . . . 0.0 112.228 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.0 mt-10 -112.28 -25.83 9.07 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.026 -1.046 . . . . 0.0 112.968 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 4' ' ' LEU . 7.1 mp -109.95 23.65 14.08 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 120.687 -1.258 . . . . 0.0 109.928 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -59.92 -40.39 88.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.123 -0.985 . . . . 0.0 111.164 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.5 p -70.87 -40.94 72.0 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.881 -1.137 . . . . 0.0 111.464 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -78.59 -70.1 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.776 -1.203 . . . . 0.0 110.362 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -82.59 96.41 8.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 14.3 p-10 -59.41 97.85 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.133 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' CB ' ' A' ' 37' ' ' LEU . 1.2 p -111.08 -16.85 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.623 -0.673 . . . . 0.0 109.618 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.89 -60.05 2.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.0 -1.063 . . . . 0.0 112.389 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.96 -46.51 89.18 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.937 -1.102 . . . . 0.0 109.995 -177.339 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' ALA . 87.5 m-20 -99.15 78.46 2.24 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.626 -1.296 . . . . 0.0 109.718 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.43 -19.9 17.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 53.5 t0 -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.76 -34.41 78.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -78.18 -26.64 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.904 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -69.97 -37.67 75.86 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.706 -1.246 . . . . 0.0 108.034 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 122.171 0.986 . . . . 0.0 109.494 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -37.55 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.29 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.514 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 10.6 mmm -75.44 -33.07 60.87 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.776 0.798 . . . . 0.0 110.451 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.52 -40.01 85.09 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 122.46 1.124 . . . . 0.0 109.995 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -62.47 -40.39 96.5 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.908 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD23 ' H ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -103.73 -28.56 11.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.115 -0.991 . . . . 0.0 110.705 -178.323 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.667 ' H ' HD23 ' A' ' 61' ' ' LEU . 25.0 t0 -84.3 31.85 0.51 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.9 tt0 -49.71 -19.32 0.6 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.604 0.716 . . . . 0.0 109.2 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' ASP . 48.1 t30 -72.62 -12.23 60.96 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.54 38.21 94.49 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 68' ' ' GLU . 1.2 m-20 -93.43 -9.15 39.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.993 -1.298 . . . . 0.0 110.137 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 0.93 9.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 106.768 -2.533 . . . . 0.0 106.768 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.5 mt-10 -130.06 146.54 51.73 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.514 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 16.8 t -115.78 136.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-O 121.472 0.653 . . . . 0.0 110.787 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLN . 90.9 m-20 -72.23 16.84 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.658 -0.651 . . . . 0.0 109.459 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 68.6 t80 62.59 -48.67 0.18 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 122.01 -0.431 . . . . 0.0 110.621 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' ASP . 64.0 tt0 -60.06 -38.53 83.12 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.615 -1.303 . . . . 0.0 107.816 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 61' ' ' LEU . 95.0 mt-10 -59.97 -39.98 87.51 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 76.2 t80 -62.14 -45.52 93.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.605 -0.684 . . . . 0.0 112.603 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.3 p -60.02 -39.52 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 120.591 -1.318 . . . . 0.0 110.771 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.85 -39.95 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.497 -1.377 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.98 -56.31 12.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.787 -1.196 . . . . 0.0 112.438 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 5.1 m -75.2 -21.77 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.174 -0.954 . . . . 0.0 111.566 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.55 -48.3 67.37 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.667 -1.27 . . . . 0.0 109.148 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.66 75.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.316 -0.865 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.85 -55.13 33.08 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.913 -1.117 . . . . 0.0 110.758 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.477 HG21 ' SD ' ' B' ' 8' ' ' MET . 94.3 m -64.58 -39.99 94.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.946 -1.096 . . . . 0.0 111.749 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.2 t -60.01 -41.57 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.946 -1.096 . . . . 0.0 109.564 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.97 84.45 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.423 -0.798 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.03 -39.93 87.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.861 . . . . 0.0 109.795 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.973 . . . . 0.0 110.406 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.93 -40.2 88.07 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.932 -1.105 . . . . 0.0 108.851 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.27 -39.9 92.09 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.838 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.274 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 6' ' ' THR . 14.7 m . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 3' ' ' GLU . 65.5 mt-10 -60.09 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.97 -39.7 72.38 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.94 -39.97 93.93 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.444 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.0 m -64.53 -22.41 66.96 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.65 -38.67 84.16 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 109.425 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.477 ' SD ' HG21 ' A' ' 82' ' ' THR . 61.7 mtm -78.23 -34.33 49.3 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.922 -1.111 . . . . 0.0 110.679 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 6.0 pt-20 -70.62 -32.89 70.39 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.965 -1.084 . . . . 0.0 110.584 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.66 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 13.0 t -77.52 -44.99 26.88 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.285 -0.884 . . . . 0.0 111.834 -177.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -70.99 -28.26 64.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.279 -1.513 . . . . 0.0 108.859 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.5 -37.44 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.099 -1.0 . . . . 0.0 109.815 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.5 m120 -70.03 -40.0 75.44 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.276 -0.89 . . . . 0.0 110.214 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -31.99 43.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.1 t80 -63.03 -39.97 96.33 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.19 -9.13 55.96 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.66 -40.08 50.18 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.081 -1.012 . . . . 0.0 109.606 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -103.85 -40.04 6.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -66.09 -23.59 66.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.024 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.31 -7.33 67.62 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -71.34 -31.36 67.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 24' ' ' ASP . 99.2 mt-10 -94.42 112.33 24.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . -30.74 -32.05 0.01 OUTLIER Glycine 0 N--CA 1.504 3.168 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' GLU . 89.9 m-20 -71.63 48.15 0.14 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.658 -1.495 . . . . 0.0 107.671 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.6 mtmm -62.06 6.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.907 -0.495 . . . . 0.0 110.92 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' B' ' 24' ' ' ASP . 79.0 m-85 -86.94 -10.13 53.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.5 -1.375 . . . . 0.0 109.823 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -161.07 160.83 30.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.818 -1.176 . . . . 0.0 110.647 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' B' ' 29' ' ' SER . 46.7 tp -82.89 166.27 19.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 35.5 t -137.28 164.12 29.31 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.946 -1.096 . . . . 0.0 109.744 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -69.96 -35.67 74.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.851 -1.155 . . . . 0.0 110.099 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 29' ' ' SER . 73.4 mt-10 -63.41 -49.9 71.94 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.678 -0.639 . . . . 0.0 111.373 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.3 pp -66.77 -29.49 69.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.216 -0.928 . . . . 0.0 110.165 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 29.0 tptp -61.09 -40.04 92.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 109.323 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' HG23 ' B' ' 39' ' ' THR . 46.1 t0 -68.7 -39.83 80.3 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.382 0.611 . . . . 0.0 110.906 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.35 -40.03 89.57 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.346 -0.846 . . . . 0.0 111.476 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' B' ' 47' ' ' VAL . 29.5 mt -74.37 -44.25 53.02 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.985 -1.072 . . . . 0.0 111.302 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 13.6 pt20 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.448 -0.783 . . . . 0.0 109.463 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.567 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -81.64 -57.06 3.62 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.225 -0.922 . . . . 0.0 112.192 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' B' ' 41' ' ' LEU . 6.2 mt-10 -112.17 -26.09 8.99 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.003 -1.06 . . . . 0.0 113.052 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 4' ' ' LEU . 7.0 mp -109.98 23.81 13.85 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.044 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.8 p -60.1 -40.2 88.81 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.173 -0.955 . . . . 0.0 111.045 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -70.91 -41.24 71.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.893 -1.13 . . . . 0.0 111.454 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -78.24 -70.0 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 110.419 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.76 96.52 8.21 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 15.4 p-10 -59.46 97.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.129 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.519 HG11 ' HB3' ' B' ' 37' ' ' LEU . 1.2 p -111.21 -16.56 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.701 -0.625 . . . . 0.0 109.634 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.02 -60.25 2.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.936 -1.102 . . . . 0.0 112.358 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.06 -45.81 91.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.884 -1.126 . . . . 0.0 110.101 -177.246 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.3 m-20 -99.76 78.25 2.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.476 -1.39 . . . . 0.0 109.7 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.573 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.38 -19.93 17.04 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -73.14 -24.21 60.57 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.26 -35.26 80.49 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.573 HG12 ' O ' ' B' ' 51' ' ' ALA . 5.3 p -77.52 -26.76 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.042 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -69.99 -37.26 75.67 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.747 -1.221 . . . . 0.0 108.119 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -69.85 -39.92 76.1 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.057 0.932 . . . . 0.0 109.428 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -37.38 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.594 0.711 . . . . 0.0 109.285 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 10.3 mmm -75.61 -32.87 60.47 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.735 0.778 . . . . 0.0 110.369 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -67.35 -40.0 85.78 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 122.458 1.123 . . . . 0.0 110.008 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.72 -40.12 96.19 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.941 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.668 HD23 ' H ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -103.95 -28.55 11.49 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.023 -1.048 . . . . 0.0 110.68 -178.435 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.668 ' H ' HD23 ' B' ' 61' ' ' LEU . 24.7 t0 -84.19 31.97 0.5 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.8 tt0 -49.73 -19.33 0.61 Allowed 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' B' ' 62' ' ' ASP . 48.2 t30 -72.64 -12.32 61.0 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.76 38.05 94.04 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 68' ' ' GLU . 1.7 m-20 -93.08 -9.9 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.045 -1.268 . . . . 0.0 110.041 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.43 1.31 10.24 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 106.625 -2.59 . . . . 0.0 106.625 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.3 mt-10 -130.17 146.26 51.79 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.525 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 16.5 t -115.71 136.87 51.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.7 m-20 -72.11 16.62 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.559 -0.713 . . . . 0.0 109.6 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 68.7 t80 62.66 -48.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 122.02 -0.425 . . . . 0.0 110.649 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' B' ' 70' ' ' ASP . 64.1 tt0 -60.08 -38.32 82.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.665 -1.272 . . . . 0.0 107.796 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.629 ' C ' HD12 ' B' ' 61' ' ' LEU . 94.7 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 79.5 t80 -62.43 -45.22 94.07 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.589 -0.695 . . . . 0.0 112.784 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.2 p -59.95 -39.95 81.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 120.6 -1.312 . . . . 0.0 110.656 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.26 -39.92 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.626 -1.296 . . . . 0.0 111.204 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.53 -56.21 11.93 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.819 -1.176 . . . . 0.0 112.454 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 4.5 m -75.23 -21.73 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.221 -0.924 . . . . 0.0 111.618 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.31 -48.47 67.5 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.594 -1.316 . . . . 0.0 109.126 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.47 75.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.242 -0.911 . . . . 0.0 110.947 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.486 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.4 OUTLIER -61.97 -55.22 31.66 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.876 -1.14 . . . . 0.0 110.773 -178.18 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.465 HG21 ' SD ' ' A' ' 8' ' ' MET . 94.4 m -64.55 -39.97 94.73 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.953 -1.092 . . . . 0.0 111.695 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.03 -41.66 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.871 -1.143 . . . . 0.0 109.634 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.92 83.94 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 109.617 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 m -59.88 -40.05 87.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.242 -0.911 . . . . 0.0 109.757 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.99 87.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.071 -1.018 . . . . 0.0 110.483 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -59.99 -40.14 88.12 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.961 -1.087 . . . . 0.0 108.888 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -61.09 -40.0 92.04 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.454 -0.899 . . . . 0.0 109.865 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.346 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 18.5 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.367 0.603 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -102.45 -58.64 1.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.479 -0.763 . . . . 0.0 112.371 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.3 tt -59.99 -39.98 87.59 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -62.82 -39.97 95.95 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.986 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -23.25 66.01 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.89 -37.58 81.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.578 -0.701 . . . . 0.0 110.235 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -81.28 -33.54 32.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.714 -1.241 . . . . 0.0 110.388 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -29.99 66.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.115 -0.991 . . . . 0.0 109.986 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.577 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 10.3 t -80.01 -52.05 8.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.136 -0.978 . . . . 0.0 111.174 -178.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 10' ' ' THR . 1.1 pp -61.22 -28.52 69.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.326 -1.484 . . . . 0.0 109.398 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.28 -36.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.763 -1.21 . . . . 0.0 110.147 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -69.76 -45.38 68.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.448 -0.783 . . . . 0.0 110.854 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -70.25 -30.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.3 t80 -62.82 -40.03 96.15 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -87.13 -9.3 55.65 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -77.13 -38.77 51.34 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.416 -0.803 . . . . 0.0 109.366 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -105.37 -20.61 13.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.385 -0.822 . . . . 0.0 111.311 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.8 m -70.06 -23.02 63.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.09 -1.006 . . . . 0.0 111.556 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.72 2.61 32.13 Favored Glycine 0 N--CA 1.501 2.995 0 O-C-N 121.092 -1.005 . . . . 0.0 111.127 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 17' ' ' ALA . 46.3 mtpt -87.8 -15.91 35.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.865 -1.374 . . . . 0.0 110.386 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -99.48 -5.07 29.97 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.222 -0.924 . . . . 0.0 110.344 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 98.27 -35.63 4.47 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -71.6 63.97 0.43 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.3 ttpp -80.0 -10.3 59.76 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.191 -178.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -78.2 -8.5 58.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.252 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -176.09 -179.95 1.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 109.534 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 33' ' ' LEU . 40.6 tp -83.92 165.14 18.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.37 -0.831 . . . . 0.0 109.28 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.422 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 8.6 p -134.46 166.95 21.67 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.908 -1.12 . . . . 0.0 109.829 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.93 -40.02 87.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.22 -0.925 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -76.77 -33.9 58.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.379 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 29' ' ' SER . 94.2 mt-10 -62.39 -44.23 96.94 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.587 -0.695 . . . . 0.0 110.918 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -69.93 -28.64 65.75 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -60.04 -40.0 87.87 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 109.118 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 39' ' ' THR . 95.5 m-20 -71.0 -40.0 72.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.83 -1.169 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.95 -41.91 92.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.968 -1.082 . . . . 0.0 110.875 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.4 mt -77.51 -40.06 44.1 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.734 -1.229 . . . . 0.0 110.333 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -70.06 -20.0 63.25 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.0 109.077 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.2 p -80.05 -57.44 3.63 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.123 -0.986 . . . . 0.0 110.705 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 22.8 mm-40 -109.98 -29.14 8.38 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.963 -1.085 . . . . 0.0 112.609 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.59 25.79 11.4 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 120.844 -1.16 . . . . 0.0 110.821 -177.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.2 p -60.02 -56.67 18.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.808 -1.182 . . . . 0.0 111.721 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 42' ' ' SER . 74.1 m -66.41 -40.01 89.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.227 -0.92 . . . . 0.0 112.361 -177.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -74.55 -65.4 0.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.576 -1.328 . . . . 0.0 110.783 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -83.03 98.12 9.11 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 29.2 t0 -51.95 123.15 9.71 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.137 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.33 -29.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.382 -0.824 . . . . 0.0 109.692 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -81.67 -57.19 3.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.369 -0.832 . . . . 0.0 111.215 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -60.24 -39.83 88.08 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.89 -1.131 . . . . 0.0 110.151 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -105.03 81.22 1.7 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.823 -1.173 . . . . 0.0 109.39 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.71 -23.16 64.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 108.568 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -68.69 -24.46 64.5 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.84 73.94 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -77.57 -30.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.989 -1.07 . . . . 0.0 109.235 179.477 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -66.54 -40.08 88.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.932 -1.105 . . . . 0.0 108.756 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.35 -40.03 74.3 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.998 0.904 . . . . 0.0 111.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.661 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.18 -40.12 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.037 -177.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.11 -25.1 34.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 110.088 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.95 -42.3 93.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.881 -1.137 . . . . 0.0 109.374 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -59.95 -38.11 81.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 3.7 mp -74.91 -62.77 1.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.384 0.612 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' C ' ' N ' ' A' ' 64' ' ' ASN . 90.7 m-20 -78.63 40.92 0.39 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 61' ' ' LEU . 84.0 tt0 -52.48 -16.83 0.99 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' N ' ' C ' ' A' ' 62' ' ' ASP . 91.0 m-20 -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.15 30.06 69.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLU . 25.7 p-10 -90.03 -0.84 57.8 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.153 -1.204 . . . . 0.0 109.845 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.33 10.05 0.3 Allowed Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ASP . 42.5 mt-10 -132.52 131.31 41.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.501 -0.999 . . . . 0.0 108.935 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 71' ' ' PHE . 21.2 t -99.1 140.38 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.447 -0.783 . . . . 0.0 110.224 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' GLN . 71.4 m-20 -75.88 19.16 0.22 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.395 -0.815 . . . . 0.0 109.439 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 90.2 t80 63.68 -48.47 0.25 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 122.083 -0.385 . . . . 0.0 111.919 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.8 mt-30 -59.9 -39.72 86.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.426 -1.421 . . . . 0.0 108.715 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.78 -39.56 85.32 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.726 ' O ' HG22 ' A' ' 78' ' ' VAL . 75.0 t80 -63.48 -44.86 93.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.84 -40.05 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.42 -1.425 . . . . 0.0 110.566 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -71.75 -36.65 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.448 -1.407 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.661 HD21 HG13 ' A' ' 57' ' ' ILE . 31.7 tp -61.53 -56.45 19.88 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.88 -1.138 . . . . 0.0 111.909 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.6 m -77.46 -22.3 14.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.871 -0.518 . . . . 0.0 111.251 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.04 -48.01 59.7 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.134 -1.027 . . . . 0.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.99 75.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.18 -0.95 . . . . 0.0 111.204 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.28 -48.81 78.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.697 -1.252 . . . . 0.0 110.307 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.25 -40.06 92.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.999 -1.063 . . . . 0.0 110.714 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -60.19 -45.23 96.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.137 -0.977 . . . . 0.0 110.358 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.82 95.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.585 -0.697 . . . . 0.0 111.455 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.5 p -60.63 -39.98 90.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 0.0 109.508 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 11.5 t-20 -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.384 -0.823 . . . . 0.0 110.444 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -67.77 -38.28 83.19 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.115 -0.991 . . . . 0.0 110.189 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.75 -26.96 64.56 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.294 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.301 -1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.17 -179.636 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 18.4 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.447 0.641 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.24 -58.49 1.87 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.439 -0.788 . . . . 0.0 112.442 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.3 tt -60.01 -40.03 87.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -62.93 -40.01 96.31 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.82 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.1 m -61.87 -22.98 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.9 mmt -81.14 -34.07 32.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.751 -1.218 . . . . 0.0 110.422 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -30.14 67.28 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.083 -1.011 . . . . 0.0 110.124 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 10.1 t -79.81 -52.25 8.14 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.164 -0.96 . . . . 0.0 111.247 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.542 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -60.86 -28.86 69.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.251 -1.531 . . . . 0.0 109.431 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.96 -36.6 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.775 -1.203 . . . . 0.0 110.24 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -70.13 -45.05 67.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.209 -0.932 . . . . 0.0 110.986 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.09 -30.86 45.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.3 t80 -62.97 -40.08 96.65 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -87.02 -9.52 55.35 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 21' ' ' LYS . . . -76.89 -38.69 53.1 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -105.47 -20.56 13.44 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.378 -0.826 . . . . 0.0 111.327 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 75.6 m -70.15 -22.88 62.93 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.125 -0.984 . . . . 0.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.07 3.08 31.51 Favored Glycine 0 N--CA 1.502 3.079 0 O-C-N 120.981 -1.075 . . . . 0.0 111.147 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' B' ' 17' ' ' ALA . 45.5 mtpt -88.14 -15.53 35.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.812 -1.405 . . . . 0.0 110.251 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -99.89 -5.01 29.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 98.45 -36.0 4.26 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -71.45 63.95 0.4 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' B' ' 23' ' ' GLY . 9.9 ttpp -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.305 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.63 -8.83 59.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.952 -1.093 . . . . 0.0 109.197 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -175.91 179.71 1.29 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.511 -0.743 . . . . 0.0 109.498 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.8 tp -83.34 165.05 19.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.347 -0.846 . . . . 0.0 109.344 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 10.0 p -133.78 167.19 20.99 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.95 -1.094 . . . . 0.0 109.766 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.93 -40.04 87.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.285 -0.884 . . . . 0.0 111.269 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.89 -33.62 57.79 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.723 -1.236 . . . . 0.0 110.227 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 29' ' ' SER . 93.9 mt-10 -62.81 -44.06 97.15 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.549 -0.719 . . . . 0.0 110.822 -178.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.562 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.91 -28.68 65.81 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.335 -0.853 . . . . 0.0 110.05 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -59.96 -39.93 87.31 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 95.8 m-20 -70.97 -39.92 72.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.907 -1.12 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.14 -41.94 93.8 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.985 -1.072 . . . . 0.0 110.851 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.5 mt -77.34 -40.18 45.0 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.682 -1.261 . . . . 0.0 110.358 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.11 -20.17 63.2 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.53 -0.731 . . . . 0.0 109.096 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.75 -57.66 3.56 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.755 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.464 ' C ' HD12 ' B' ' 41' ' ' LEU . 22.0 mm-40 -109.93 -29.11 8.41 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 112.617 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.5 mp -110.49 25.87 11.3 Favored 'General case' 0 N--CA 1.517 2.917 0 O-C-N 120.857 -1.152 . . . . 0.0 110.845 -177.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' B' ' 43' ' ' SER . 4.3 p -59.92 -57.01 14.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.784 -1.197 . . . . 0.0 111.764 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.51 ' N ' ' OG ' ' B' ' 42' ' ' SER . 69.9 m -66.31 -40.06 89.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 112.28 -177.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.51 -65.84 0.81 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.757 -1.215 . . . . 0.0 110.618 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.86 98.6 9.25 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' B' ' 46' ' ' ASP . 28.0 t0 -52.54 123.04 10.06 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.14 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.21 -30.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.399 -0.813 . . . . 0.0 109.723 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.15 -57.25 3.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.324 -0.86 . . . . 0.0 111.207 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -60.22 -39.99 88.59 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.95 -1.093 . . . . 0.0 110.142 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -105.02 81.62 1.76 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.862 -1.149 . . . . 0.0 109.362 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.83 -23.41 65.08 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 108.466 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -68.44 -25.1 64.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.92 76.78 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 51' ' ' ALA . 1.0 OUTLIER -77.05 -29.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.939 -1.101 . . . . 0.0 109.379 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.65 -40.02 88.5 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.933 -1.104 . . . . 0.0 108.769 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.35 -40.01 74.34 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.873 0.844 . . . . 0.0 111.29 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.678 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -65.59 -40.0 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.813 -0.554 . . . . 0.0 110.101 -177.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.1 -25.08 34.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.765 -1.209 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.94 -42.3 93.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 109.185 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.05 -38.51 82.99 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -74.48 -62.82 1.39 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.426 0.632 . . . . 0.0 110.614 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' B' ' 64' ' ' ASN . 91.3 m-20 -78.17 40.88 0.35 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.412 -0.805 . . . . 0.0 108.88 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 83.5 tt0 -52.46 -16.78 0.97 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' B' ' 62' ' ' ASP . 90.7 m-20 -86.37 -3.53 59.01 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.636 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.01 70.09 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' B' ' 68' ' ' GLU . 25.4 p-10 -89.98 -0.99 57.89 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.088 -1.242 . . . . 0.0 109.759 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.52 10.01 0.32 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 66' ' ' ASP . 41.8 mt-10 -132.59 131.31 41.33 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.473 -1.016 . . . . 0.0 108.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -99.18 140.13 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.515 -0.741 . . . . 0.0 110.298 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' B' ' 72' ' ' GLN . 72.3 m-20 -75.59 19.12 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.518 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 89.3 t80 63.9 -48.71 0.27 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 122.079 -0.388 . . . . 0.0 111.886 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-30 -60.08 -39.3 85.63 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.395 -1.44 . . . . 0.0 108.747 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 57.7 mt-10 -59.97 -39.6 86.2 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.736 ' O ' HG22 ' B' ' 78' ' ' VAL . 75.1 t80 -63.62 -44.69 93.18 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.04 -40.04 82.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 120.233 -1.542 . . . . 0.0 110.434 -176.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.411 HG22 ' H ' ' B' ' 76' ' ' VAL . 11.4 m -71.23 -37.48 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.588 -1.32 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.678 HD21 HG13 ' B' ' 57' ' ' ILE . 30.9 tp -61.06 -56.21 23.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.914 -1.116 . . . . 0.0 112.177 -177.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.736 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -77.6 -22.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.829 -0.545 . . . . 0.0 111.137 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.95 -48.72 57.25 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.179 -1.009 . . . . 0.0 109.86 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.95 77.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 111.129 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.33 -48.59 79.14 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.823 -1.173 . . . . 0.0 110.462 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.69 -40.02 93.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.036 -1.04 . . . . 0.0 110.446 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.0 -45.09 95.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.237 -0.914 . . . . 0.0 110.203 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.89 95.39 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.444 -0.785 . . . . 0.0 111.705 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.6 p -60.69 -39.88 90.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.727 -1.233 . . . . 0.0 109.428 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 11.5 t-20 -60.04 -40.04 88.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.413 -0.804 . . . . 0.0 110.357 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -67.42 -38.65 84.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 110.244 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.63 -26.77 64.58 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.366 -0.834 . . . . 0.0 110.339 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.301 -1.535 0 O-C-N 121.128 -0.982 . . . . 0.0 109.173 -179.581 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.743 0.782 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.53 -58.07 1.94 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.759 -0.588 . . . . 0.0 112.209 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 61.3 tp -60.25 -40.47 90.42 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.845 -1.159 . . . . 0.0 109.021 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.62 -38.64 91.87 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.048 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 10' ' ' THR . 18.0 m -62.01 -21.31 64.77 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -69.49 -35.96 76.05 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.418 -0.801 . . . . 0.0 109.772 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.515 ' SD ' HD21 ' B' ' 41' ' ' LEU . 37.6 mtp -75.46 -39.9 58.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.949 -1.095 . . . . 0.0 110.402 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.13 -35.76 78.63 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.376 0.607 . . . . 0.0 111.318 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.3 t -73.57 -47.49 40.2 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.319 -0.863 . . . . 0.0 111.614 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' THR . 2.4 pp -72.09 -26.88 62.32 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.236 -1.54 . . . . 0.0 110.429 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.98 -36.02 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.689 -1.257 . . . . 0.0 110.227 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.86 -40.73 65.44 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -33.71 57.59 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.02 -42.59 94.67 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -84.96 -9.38 58.13 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.37 27.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 110.642 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 50.7 t60 -111.55 -37.69 5.14 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.327 -0.858 . . . . 0.0 110.827 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.1 m -52.87 -30.16 32.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.164 -0.96 . . . . 0.0 110.234 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.04 12.32 52.47 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -89.39 -20.04 24.46 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.492 -1.005 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -110.55 -6.1 14.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 111.425 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.85 23.01 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.8 m-20 50.22 40.17 21.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.776 -1.426 . . . . 0.0 108.134 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -71.42 -6.85 43.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.565 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -78.74 -10.06 59.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.7 ttmp? -158.52 160.01 36.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 29' ' ' SER . 55.5 tp -80.33 167.61 20.03 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 66.5 m -135.87 161.62 35.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.796 -1.19 . . . . 0.0 109.973 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.78 -39.76 85.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.291 -0.881 . . . . 0.0 110.013 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -70.72 -36.59 73.29 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.039 -1.038 . . . . 0.0 110.581 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 19' ' ' SER . 6.9 mm-40 -60.44 -50.11 74.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.285 -0.884 . . . . 0.0 111.263 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -68.22 -25.58 65.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.895 -1.128 . . . . 0.0 110.487 -179.023 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 tptp -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 0.0 109.601 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 39' ' ' THR . 23.6 t0 -73.02 -40.08 65.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.801 -1.187 . . . . 0.0 110.485 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.22 -40.96 95.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.246 -0.909 . . . . 0.0 111.132 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 45' ' ' LEU . 22.0 mt -75.61 -40.79 55.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.042 -1.036 . . . . 0.0 110.073 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -69.93 -20.45 63.35 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' ASP . 11.7 p -83.93 -57.48 3.18 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.329 -0.857 . . . . 0.0 112.47 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 41' ' ' LEU . 15.1 mt-10 -111.02 -28.8 8.16 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.775 -1.203 . . . . 0.0 112.753 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' B' ' 8' ' ' MET . 11.1 mp -108.46 23.15 14.94 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.965 -1.084 . . . . 0.0 110.323 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' LEU . 82.1 p -60.29 -40.46 90.56 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 110.329 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.5 t -70.02 -45.22 67.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 111.467 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.15 -67.91 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.902 -1.123 . . . . 0.0 110.042 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 37' ' ' LEU . 81.4 mt -81.23 95.66 7.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.16 89.97 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.453 -0.779 . . . . 0.0 109.924 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' A' ' 37' ' ' LEU . 2.1 p -105.06 -16.21 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -80.0 -69.86 0.56 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.116 -0.99 . . . . 0.0 112.318 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.58 -50.12 72.87 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.066 -1.021 . . . . 0.0 110.458 -176.731 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 98.2 m-20 -93.99 76.59 4.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.154 -1.592 . . . . 0.0 109.665 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.28 -22.07 27.87 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -67.63 -27.66 67.07 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -60.8 -31.84 71.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.0 -26.3 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.928 . . . . 0.0 109.748 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -71.15 -40.08 71.56 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 120.787 -1.196 . . . . 0.0 108.26 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -68.67 -39.88 80.42 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.048 0.927 . . . . 0.0 110.055 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.82 78.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.5 mmm -72.69 -30.98 64.69 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.811 0.815 . . . . 0.0 109.822 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -59.9 -44.31 94.34 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.532 0.682 . . . . 0.0 109.704 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -69.94 -39.86 75.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 109.306 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 6.5 mp -67.72 -83.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.644 0.735 . . . . 0.0 109.652 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 37.9 t0 -75.17 55.75 0.76 Allowed 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.22 -13.11 1.15 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.272 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 66.2 t30 -77.32 -14.28 59.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.524 -0.735 . . . . 0.0 109.521 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.16 30.93 71.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 14.9 p30 -91.21 -2.56 57.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.992 -1.299 . . . . 0.0 110.338 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 69.86 1.82 34.24 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -128.38 141.71 51.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.471 -1.017 . . . . 0.0 108.426 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.6 t -109.77 139.82 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 CA-C-O 121.724 0.773 . . . . 0.0 110.456 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.8 t70 -81.01 25.14 0.47 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.607 -0.683 . . . . 0.0 109.636 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 12.4 p90 55.05 -46.61 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 122.73 0.412 . . . . 0.0 112.058 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.614 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.0 tt0 -59.83 -37.24 78.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.215 -1.553 . . . . 0.0 108.058 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 37.2 mt-10 -60.13 -40.01 88.26 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 109.187 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.1 t80 -66.93 -49.5 65.35 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.2 -40.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.491 -1.381 . . . . 0.0 111.27 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' B' ' 76' ' ' VAL . 55.3 t -65.61 -40.12 87.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.705 -1.247 . . . . 0.0 112.292 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' CB ' HD11 ' A' ' 61' ' ' LEU . 2.0 tm? -69.14 -57.75 4.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.839 -1.163 . . . . 0.0 112.204 -176.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.7 m -72.36 -23.99 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.162 -0.961 . . . . 0.0 111.835 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.63 60.5 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.842 -1.161 . . . . 0.0 109.514 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.97 95.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.394 -0.816 . . . . 0.0 110.988 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 60.4 tp -61.02 -40.13 92.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.8 -1.188 . . . . 0.0 110.298 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -64.66 -47.11 79.65 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.135 -0.978 . . . . 0.0 112.976 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.9 -43.67 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.395 -1.441 . . . . 0.0 109.859 -178.506 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -28.95 68.33 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.365 -0.834 . . . . 0.0 108.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 64.1 m -68.56 -40.14 80.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.327 -0.858 . . . . 0.0 109.549 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -61.16 -39.83 91.57 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.624 -0.672 . . . . 0.0 110.654 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 46.5 t-20 -74.52 -27.22 60.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.051 -1.031 . . . . 0.0 109.409 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.89 -41.86 92.53 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.245 -0.909 . . . . 0.0 109.267 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.179 178.716 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.711 0.767 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.423 ' C ' ' HG1' ' A' ' 10' ' ' THR . 16.8 mt-10 -102.74 -58.03 1.95 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.727 -0.608 . . . . 0.0 112.37 -177.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 59.5 tp -60.37 -40.22 90.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.98 -1.075 . . . . 0.0 109.144 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -38.32 90.64 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.702 -1.199 . . . . 0.0 107.944 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.452 ' O ' HG22 ' B' ' 10' ' ' THR . 18.5 m -62.33 -21.23 65.12 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.31 -36.1 76.64 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.877 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 37.9 mtp -75.26 -39.97 59.31 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.078 -1.014 . . . . 0.0 110.36 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.43 -35.05 77.07 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.334 0.588 . . . . 0.0 111.269 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.0 t -74.11 -47.57 35.34 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.241 -0.912 . . . . 0.0 111.606 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 10' ' ' THR . 2.3 pp -71.87 -27.11 62.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.358 -1.464 . . . . 0.0 110.343 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.96 -35.66 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.625 -1.297 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -73.58 -40.13 64.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 109.491 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -33.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.22 -42.52 95.36 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -85.51 -8.76 58.15 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.89 -32.68 27.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.415 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 52.9 t60 -111.8 -37.02 5.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.35 -0.844 . . . . 0.0 110.773 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.417 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.8 m -53.18 -30.3 36.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.984 . . . . 0.0 110.188 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.16 13.07 52.23 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -89.87 -20.1 23.82 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.44 -1.035 . . . . 0.0 109.185 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -110.64 -6.09 14.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.611 -0.681 . . . . 0.0 111.415 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.74 22.92 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.453 -2.259 . . . . 0.0 107.453 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.4 m-20 50.08 40.42 21.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.772 -1.428 . . . . 0.0 108.212 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -71.77 -6.76 43.75 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -78.82 -9.99 59.64 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.7 ttmp? -158.41 160.03 36.41 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' B' ' 29' ' ' SER . 55.5 tp -80.23 167.13 20.69 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.756 -1.215 . . . . 0.0 107.729 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 73.4 m -135.84 161.44 35.59 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.742 -1.224 . . . . 0.0 109.984 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -59.93 -39.51 85.76 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.329 -0.857 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -70.61 -36.53 73.56 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.029 -1.044 . . . . 0.0 110.466 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 19' ' ' SER . 6.7 mm-40 -60.53 -50.47 73.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 111.276 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -67.84 -25.58 65.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.863 -1.148 . . . . 0.0 110.558 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.2 tptp -60.26 -40.32 89.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.982 -1.074 . . . . 0.0 109.492 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 22.2 t0 -72.46 -39.81 67.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.837 -1.165 . . . . 0.0 110.765 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.85 -40.73 96.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.112 -0.992 . . . . 0.0 111.02 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' B' ' 45' ' ' LEU . 22.5 mt -75.82 -40.87 54.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.981 -1.074 . . . . 0.0 110.19 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -69.95 -20.08 63.34 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 11.2 p -84.28 -57.36 3.2 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 112.373 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.468 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.9 mt-10 -110.97 -29.1 8.05 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.899 -1.125 . . . . 0.0 112.727 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.515 HD21 ' SD ' ' A' ' 8' ' ' MET . 11.0 mp -108.44 23.38 14.6 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.916 -1.115 . . . . 0.0 110.408 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 79.3 p -60.36 -40.14 89.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.227 -0.921 . . . . 0.0 110.335 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -70.22 -45.26 66.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 111.393 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.39 -67.94 0.64 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.952 -1.092 . . . . 0.0 109.997 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' B' ' 37' ' ' LEU . 79.3 mt -81.04 95.44 6.83 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.24 90.54 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.444 -0.785 . . . . 0.0 109.697 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' B' ' 37' ' ' LEU . 1.9 p -105.53 -16.08 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -80.19 -69.86 0.56 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.064 -1.022 . . . . 0.0 112.122 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.467 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.31 -50.66 70.79 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.429 -176.778 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 53' ' ' ALA . 97.8 m-20 -93.76 76.99 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.303 -1.498 . . . . 0.0 109.75 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.79 -21.94 32.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.96 -27.31 66.49 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.06 -31.77 71.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.21 -25.85 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.912 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -71.11 -40.08 71.7 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.896 -1.128 . . . . 0.0 108.296 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -68.97 -40.12 79.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.229 1.014 . . . . 0.0 110.008 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -37.03 79.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 72.2 mmm -72.57 -31.1 64.98 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.806 0.812 . . . . 0.0 109.824 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -59.7 -44.49 93.65 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.399 0.619 . . . . 0.0 109.61 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.8 -40.02 76.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.418 -0.801 . . . . 0.0 109.468 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 6.5 mp -67.47 -83.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.711 . . . . 0.0 109.736 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 36.4 t0 -75.04 55.76 0.73 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.13 -13.11 1.09 Allowed 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.292 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' B' ' 62' ' ' ASP . 66.0 t30 -77.16 -14.56 59.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.524 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.33 30.69 71.39 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 15.1 p30 -90.91 -2.71 57.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.22 -1.165 . . . . 0.0 110.215 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.542 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 69.72 2.21 35.36 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -128.86 141.41 51.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.477 -1.014 . . . . 0.0 108.375 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -109.72 139.86 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.718 0.77 . . . . 0.0 110.472 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 72' ' ' GLN . 7.8 t70 -81.01 25.35 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.698 -0.626 . . . . 0.0 109.595 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 13.4 p90 54.83 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.623 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 64.0 tt0 -59.95 -37.1 78.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.175 -1.578 . . . . 0.0 107.893 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 35.6 mt-10 -60.1 -39.9 87.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.513 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.3 t80 -66.58 -50.0 64.5 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 3.6 p -59.24 -40.13 80.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.654 -1.279 . . . . 0.0 111.168 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 76' ' ' VAL . 54.6 t -65.16 -40.32 88.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 120.951 -1.093 . . . . 0.0 112.052 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD11 ' B' ' 61' ' ' LEU . 2.0 tm? -69.23 -57.79 4.89 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.797 -1.189 . . . . 0.0 112.329 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.513 HG22 ' O ' ' B' ' 74' ' ' PHE . 6.6 m -72.6 -23.72 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.176 -0.953 . . . . 0.0 111.611 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.09 -50.9 60.03 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.827 -1.171 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.02 96.0 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.304 -0.873 . . . . 0.0 111.111 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 61.7 tp -61.24 -39.85 91.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.896 -1.128 . . . . 0.0 110.278 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.3 p -64.37 -48.67 74.57 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.201 -0.937 . . . . 0.0 112.93 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -43.89 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.502 -1.374 . . . . 0.0 109.925 -178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.78 68.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.344 -0.847 . . . . 0.0 108.948 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 63.7 m -68.71 -40.23 80.09 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.547 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.67 -40.26 91.43 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.542 -0.724 . . . . 0.0 110.495 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 46.8 t-20 -74.57 -27.01 60.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.925 -1.109 . . . . 0.0 109.405 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.88 -41.72 92.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.234 -0.916 . . . . 0.0 109.351 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 C--N 1.302 -1.466 0 O-C-N 121.199 -0.938 . . . . 0.0 109.14 178.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.861 0 N-CA-C 119.687 2.635 . . . . 0.0 119.687 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 t -105.76 16.56 25.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.404 -1.057 . . . . 0.0 109.144 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 44.0 mt-10 -60.82 -46.75 89.3 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.334 -0.854 . . . . 0.0 109.664 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -74.4 -40.07 62.27 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.25 -40.04 93.47 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 2' ' ' SER . 19.8 m -63.27 -22.0 66.59 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -70.02 -35.8 74.59 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.012 0.911 . . . . 0.0 109.505 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ttt -77.5 -37.22 51.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.438 -0.789 . . . . 0.0 110.288 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.98 -36.1 74.94 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.518 -0.739 . . . . 0.0 110.915 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.3 t -71.86 -54.21 10.82 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 111.412 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 10' ' ' THR . 0.9 OUTLIER -60.03 -29.04 68.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.257 -1.527 . . . . 0.0 109.556 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.93 -34.28 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.587 -1.321 . . . . 0.0 110.456 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.47 -46.7 53.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.114 -0.991 . . . . 0.0 110.844 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 15' ' ' PHE . 32.7 m -66.08 -32.89 60.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 56.0 t80 -61.04 -40.03 92.05 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -89.36 -4.55 58.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.99 -38.88 24.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.251 -0.905 . . . . 0.0 109.251 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 89.2 m-70 -102.32 -34.71 9.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.392 -0.817 . . . . 0.0 110.48 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -61.25 -40.0 92.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.12 -0.988 . . . . 0.0 110.645 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.07 86.12 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -80.46 -20.38 43.88 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.412 -1.052 . . . . 0.0 109.417 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -94.35 -6.57 43.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.714 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 96.0 -38.86 2.97 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.71 70.04 0.93 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' GLY . 27.3 ttmt -79.51 -11.89 59.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.813 -0.554 . . . . 0.0 110.292 -177.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -92.2 -15.36 27.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.056 -1.027 . . . . 0.0 109.972 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.94 145.6 31.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.068 -1.02 . . . . 0.0 109.154 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.47 166.86 18.98 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.9 t -137.05 167.56 21.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.966 -1.083 . . . . 0.0 110.257 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.14 84.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 111.461 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -75.73 -32.95 60.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.659 -1.276 . . . . 0.0 111.04 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 29' ' ' SER . 61.8 mt-10 -61.61 -49.96 74.51 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.068 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -65.17 -31.38 72.54 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.386 -0.821 . . . . 0.0 110.4 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -59.96 -39.96 87.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 108.823 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 19.5 t70 -68.58 -40.39 80.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.587 0.708 . . . . 0.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.64 -41.23 98.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.989 -1.069 . . . . 0.0 112.014 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -78.98 -41.75 28.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.674 -1.266 . . . . 0.0 111.493 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.547 -0.72 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -76.35 -57.96 3.56 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.139 -0.976 . . . . 0.0 111.439 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 7.6 mt-10 -110.97 -28.09 8.5 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.048 . . . . 0.0 112.446 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -108.5 28.15 8.66 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.935 -1.103 . . . . 0.0 110.755 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -60.03 -50.3 74.26 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.935 -1.103 . . . . 0.0 110.957 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -63.84 -39.96 95.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.205 -0.935 . . . . 0.0 111.809 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -76.98 -69.22 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.793 -1.192 . . . . 0.0 110.331 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.42 98.26 9.4 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -57.68 139.35 53.96 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.2 p -163.53 -52.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.885 -1.135 . . . . 0.0 110.065 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.519 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.8 pt20 -61.29 -41.91 97.75 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.83 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -71.88 -39.92 69.29 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.831 -1.168 . . . . 0.0 109.354 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -103.22 83.95 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.192 -0.942 . . . . 0.0 109.227 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.742 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.99 -24.12 64.2 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.907 -1.121 . . . . 0.0 108.726 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.03 -28.93 67.0 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.28 75.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.889 -0.507 . . . . 0.0 109.799 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 51' ' ' ALA . 10.4 p -75.83 -29.0 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.878 -1.139 . . . . 0.0 110.326 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -68.92 -42.04 77.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.794 1.283 . . . . 0.0 108.698 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.07 -40.05 86.98 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -40.03 84.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.096 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.3 -26.03 58.38 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.924 -1.11 . . . . 0.0 109.079 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.87 -43.89 90.95 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.173 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.11 -40.01 95.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.96 . . . . 0.0 108.519 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 74' ' ' PHE . 5.2 mp -71.53 -56.17 6.42 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.74 0.781 . . . . 0.0 109.103 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.5 m-20 -81.95 42.42 0.72 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.07 -22.92 4.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 62' ' ' ASP . 75.9 m-20 -79.75 -8.76 59.45 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.635 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.79 76.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 68' ' ' GLU . 43.0 p-10 -92.02 -0.05 57.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.209 -1.171 . . . . 0.0 110.959 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.04 5.13 0.56 Allowed Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.8 mt-10 -129.67 151.94 49.72 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 71' ' ' PHE . 24.2 t -122.22 150.59 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 121.451 0.643 . . . . 0.0 110.31 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.8 18.87 7.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 109.707 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 46.9 t80 62.6 -42.25 0.18 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 122.071 -0.393 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 70' ' ' ASP . 60.2 tt0 -65.53 -40.07 92.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.508 -1.37 . . . . 0.0 108.99 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 81.2 mt-10 -60.14 -40.0 88.29 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.284 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.8 t80 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -59.93 -39.81 81.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.882 -1.136 . . . . 0.0 111.402 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.23 -40.02 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.473 -1.392 . . . . 0.0 111.581 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.78 -57.47 6.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.844 -1.16 . . . . 0.0 111.419 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.7 m -70.09 -22.49 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.885 -1.135 . . . . 0.0 110.99 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -63.35 -49.03 75.48 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.77 -1.206 . . . . 0.0 109.24 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.33 75.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 112.255 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.7 -46.83 74.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.565 -1.334 . . . . 0.0 111.919 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 83' ' ' VAL . 14.3 t -69.41 -40.1 77.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.875 -1.141 . . . . 0.0 110.383 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 82' ' ' THR . 54.6 t -59.95 -41.08 84.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.876 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.87 94.3 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.643 . . . . 0.0 109.622 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -41.25 91.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.765 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.11 -40.13 88.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.685 -1.26 . . . . 0.0 109.732 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -71.65 -24.68 61.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.626 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.04 -45.33 93.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 85.2 m-85 -71.13 -36.38 72.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.186 -0.947 . . . . 0.0 109.249 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -70.8 -34.35 71.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 110.551 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.17 -40.18 89.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.077 -1.015 . . . . 0.0 110.872 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' SER . 50.8 p30 -88.63 -2.43 58.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.906 -1.121 . . . . 0.0 109.736 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.662 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.712 2.645 . . . . 0.0 119.712 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 1.3 t -106.06 16.58 24.82 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.351 -1.088 . . . . 0.0 108.984 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 44.9 mt-10 -60.86 -46.71 89.51 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.363 -0.836 . . . . 0.0 109.612 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.461 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.4 tt -74.39 -40.05 62.3 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.41 -39.95 92.77 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.6 m -63.31 -21.83 66.5 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -70.01 -35.98 74.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.095 0.95 . . . . 0.0 109.632 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.38 -37.17 52.66 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.477 -0.764 . . . . 0.0 110.379 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.05 -36.34 74.92 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.541 -0.724 . . . . 0.0 110.931 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.3 t -71.85 -54.39 10.27 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.355 -0.841 . . . . 0.0 111.302 -177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -59.99 -29.06 68.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.252 -1.53 . . . . 0.0 109.446 -179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.95 -34.06 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.668 -1.27 . . . . 0.0 110.561 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -73.05 -46.37 52.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.835 -1.166 . . . . 0.0 110.8 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 15' ' ' PHE . 32.9 m -65.53 -33.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 55.8 t80 -61.0 -39.99 91.83 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -89.76 -3.45 58.16 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.84 -38.87 22.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.159 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 89.0 m-70 -102.45 -34.46 9.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.383 -0.823 . . . . 0.0 110.48 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -61.41 -39.96 92.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.15 -0.969 . . . . 0.0 110.627 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.23 -1.98 85.93 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -80.71 -20.21 43.35 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.515 -0.991 . . . . 0.0 109.319 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -94.52 -6.46 43.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 109.708 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 95.88 -38.75 3.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.74 70.01 0.94 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.9 ttmt -79.54 -11.85 59.88 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.935 -0.478 . . . . 0.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -91.97 -16.01 27.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.063 -1.023 . . . . 0.0 109.89 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 145.3 31.76 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.0 -1.063 . . . . 0.0 109.174 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.0 tp -82.16 166.89 19.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.529 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 34.8 t -136.14 168.88 18.55 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.9 -1.125 . . . . 0.0 110.257 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -40.5 89.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.61 -0.682 . . . . 0.0 111.329 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -76.01 -32.81 59.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.729 -1.232 . . . . 0.0 111.135 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' B' ' 29' ' ' SER . 61.8 mt-10 -61.54 -50.0 74.43 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.392 -0.818 . . . . 0.0 110.963 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.0 OUTLIER -65.2 -31.48 72.67 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.45 -0.781 . . . . 0.0 110.378 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.94 -40.0 87.44 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.271 -0.893 . . . . 0.0 108.793 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' B' ' 39' ' ' THR . 19.2 t70 -68.75 -39.0 80.51 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.466 0.651 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.29 -40.8 94.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.014 -1.054 . . . . 0.0 111.878 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.0 -41.86 27.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.633 -1.292 . . . . 0.0 111.522 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.01 -19.98 63.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.4 p -76.24 -58.21 3.41 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.095 -1.003 . . . . 0.0 111.465 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 7.9 mt-10 -110.9 -27.9 8.61 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.047 -1.033 . . . . 0.0 112.573 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.467 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -108.66 28.21 8.64 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.909 -1.119 . . . . 0.0 110.705 -177.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.4 t -60.05 -50.11 75.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.924 -1.11 . . . . 0.0 110.923 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.9 m -63.93 -40.08 95.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.271 -0.893 . . . . 0.0 111.756 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -77.02 -69.28 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.767 -1.208 . . . . 0.0 110.321 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -83.32 98.3 9.37 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.74 139.2 54.48 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.522 HG13 ' H ' ' B' ' 48' ' ' GLN . 2.2 p -163.53 -52.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.907 -1.121 . . . . 0.0 110.047 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.522 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.5 pt20 -61.2 -41.8 97.46 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.884 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.0 -39.64 69.09 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.363 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -103.34 83.74 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.277 -0.889 . . . . 0.0 109.287 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.756 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.09 -24.1 64.34 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.88 -1.137 . . . . 0.0 108.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.93 -29.32 67.55 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.33 76.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.756 HG12 ' O ' ' B' ' 51' ' ' ALA . 13.0 p -75.1 -29.02 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.897 -1.127 . . . . 0.0 110.435 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -69.27 -41.8 76.39 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.733 1.254 . . . . 0.0 108.59 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.31 -40.0 85.97 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -39.97 85.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.075 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ptm -75.54 -26.02 57.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.821 -1.175 . . . . 0.0 109.048 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.543 -0.723 . . . . 0.0 109.126 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 0.0 108.511 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.4 mp -71.48 -56.28 6.24 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.766 0.793 . . . . 0.0 109.146 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 94.7 m-20 -81.88 42.64 0.72 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -52.35 -22.57 4.73 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 75.9 m-20 -79.9 -8.85 59.54 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.679 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.97 77.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.8 p-10 -92.24 -0.03 57.43 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.271 -1.135 . . . . 0.0 110.917 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.8 5.44 0.57 Allowed Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.2 mt-10 -129.59 151.86 49.74 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.458 HG12 ' H ' ' B' ' 71' ' ' PHE . 23.3 t -122.2 150.51 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-O 121.426 0.631 . . . . 0.0 110.373 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.0 m-20 -91.74 18.73 7.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.51 -0.744 . . . . 0.0 109.691 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 47.0 t80 62.74 -42.55 0.18 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.961 -0.462 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' B' ' 70' ' ' ASP . 60.1 tt0 -65.39 -39.98 92.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.521 -1.362 . . . . 0.0 109.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 81.0 mt-10 -60.08 -40.03 88.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.923 -1.11 . . . . 0.0 108.339 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.678 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -61.24 -48.38 81.7 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.6 p -59.99 -39.96 81.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.786 -1.196 . . . . 0.0 111.333 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.56 -40.02 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.803 -1.186 . . . . 0.0 111.619 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.25 -57.5 5.88 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.773 -1.204 . . . . 0.0 111.435 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.678 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.8 m -70.06 -22.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.869 -1.144 . . . . 0.0 111.026 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -63.06 -49.41 74.65 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.704 -1.247 . . . . 0.0 109.206 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.42 76.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 112.221 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.73 -46.78 74.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.552 -1.343 . . . . 0.0 112.007 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.453 HG23 ' N ' ' B' ' 83' ' ' VAL . 14.2 t -69.52 -40.1 77.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.842 -1.161 . . . . 0.0 110.337 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 108.72 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.78 94.03 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.693 -0.63 . . . . 0.0 109.712 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.347 -0.845 . . . . 0.0 110.66 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.07 -40.13 88.44 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.683 -1.261 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.72 -24.5 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.212 -0.93 . . . . 0.0 109.672 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.03 -45.47 92.72 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.304 -0.872 . . . . 0.0 109.74 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.482 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 83.9 m-85 -70.95 -36.42 72.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.23 -0.919 . . . . 0.0 109.295 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -70.86 -34.26 71.46 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.212 -0.93 . . . . 0.0 110.497 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.03 -40.55 89.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.055 -1.028 . . . . 0.0 110.825 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.8 p30 -88.3 -2.54 58.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.985 -1.072 . . . . 0.0 109.866 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.629 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.927 0 N-CA-C 119.396 2.518 . . . . 0.0 119.396 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 6' ' ' THR . 17.5 t -103.49 -66.7 0.93 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.351 -1.088 . . . . 0.0 110.838 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.63 -56.85 3.61 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.33 -0.856 . . . . 0.0 111.587 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.5 OUTLIER -60.9 -45.7 93.56 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.191 -0.943 . . . . 0.0 109.693 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 60.7 tt0 -63.15 -40.04 96.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.277 -0.89 . . . . 0.0 109.054 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 10' ' ' THR . 9.1 m -63.61 -21.07 66.16 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.53 -39.3 77.59 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.619 -0.675 . . . . 0.0 110.8 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.27 -36.52 29.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.638 -1.289 . . . . 0.0 110.401 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 64.2 mm-40 -69.9 -34.08 73.04 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.337 -0.852 . . . . 0.0 110.466 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.9 t -75.38 -45.03 41.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.392 -0.817 . . . . 0.0 112.054 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' N ' HG23 ' A' ' 10' ' ' THR . 2.8 pp -72.5 -28.33 62.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.119 -1.613 . . . . 0.0 109.221 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.99 -39.2 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.188 -0.945 . . . . 0.0 109.777 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.4 m-20 -70.04 -41.03 74.77 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.877 0.846 . . . . 0.0 110.33 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -27.74 23.14 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.5 m-85 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -85.86 -10.43 55.36 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.565 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.89 53.45 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.912 -1.117 . . . . 0.0 109.421 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.42 -21.59 14.23 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.391 -0.818 . . . . 0.0 111.446 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -67.59 -33.01 74.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.983 -1.073 . . . . 0.0 110.825 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.36 2.35 63.01 Favored Glycine 0 N--CA 1.498 2.772 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -70.05 -32.12 70.08 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.19 -7.44 42.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.636 -0.665 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.61 -15.05 64.15 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 27' ' ' LYS . 57.2 t0 -84.84 56.04 3.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.123 -1.222 . . . . 0.0 107.767 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -76.71 -7.13 54.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.948 -0.47 . . . . 0.0 110.902 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.93 -14.31 48.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.765 -1.209 . . . . 0.0 108.733 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' ASP . 16.4 ttmm -160.04 160.03 32.72 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.1 tp -83.51 163.96 20.13 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.824 -1.173 . . . . 0.0 108.115 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -136.82 167.83 20.71 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.717 -1.239 . . . . 0.0 110.822 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.97 -39.9 87.26 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.39 -0.819 . . . . 0.0 112.285 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -76.19 -29.99 57.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.43 -1.419 . . . . 0.0 110.335 -178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.32 -46.64 72.88 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.245 -0.91 . . . . 0.0 111.502 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -69.71 -35.68 75.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.274 -0.891 . . . . 0.0 110.845 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 85.7 tttt -60.11 -39.87 87.72 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.921 -1.112 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 60.1 t0 -62.21 -39.28 92.23 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.491 -0.756 . . . . 0.0 110.075 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.95 -39.15 87.19 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.332 -0.855 . . . . 0.0 111.722 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 44.3 mt -78.16 -43.18 29.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.425 -1.422 . . . . 0.0 111.472 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.73 -19.2 65.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.667 -0.645 . . . . 0.0 111.041 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 35' ' ' ASP . 5.0 t -94.99 -45.23 7.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.859 -1.151 . . . . 0.0 111.164 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 2.8 mt-10 -108.32 -34.24 6.86 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.737 -1.227 . . . . 0.0 112.859 -177.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.4 mp -112.41 26.59 10.42 Favored 'General case' 0 N--CA 1.516 2.843 0 O-C-N 121.019 -1.05 . . . . 0.0 110.747 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 t -60.02 -47.35 86.22 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 m -61.54 -40.08 93.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.145 -0.972 . . . . 0.0 111.367 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -79.8 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.81 -1.181 . . . . 0.0 109.559 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.5 mp -84.04 98.43 9.85 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.09 140.02 57.12 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 118.507 -1.277 . . . . 0.0 107.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.3 p -160.24 -53.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.118 . . . . 0.0 110.651 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.645 HE22 ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.92 -42.79 94.7 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.651 -178.091 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HG2' HE22 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -71.91 -40.23 68.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.828 -1.17 . . . . 0.0 109.216 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -106.75 85.16 2.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.998 -1.064 . . . . 0.0 109.498 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.05 -20.88 57.38 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.128 -0.982 . . . . 0.0 108.631 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 19.4 p-10 -77.25 -19.9 55.94 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.722 -1.236 . . . . 0.0 108.05 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.85 76.75 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.2 p -76.31 -27.62 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.584 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.58 -40.07 84.84 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.403 1.097 . . . . 0.0 108.124 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.91 -40.14 75.78 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.388 1.089 . . . . 0.0 110.73 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mtp -73.53 -29.98 62.8 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.867 0.841 . . . . 0.0 109.223 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -50.79 -41.64 57.26 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.479 -0.763 . . . . 0.0 109.277 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 -30.06 64.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.026 -1.046 . . . . 0.0 109.727 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.9 mp -68.53 -160.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.315 -0.866 . . . . 0.0 109.69 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.601 ' C ' ' H ' ' A' ' 64' ' ' ASN . 65.6 t0 -64.38 58.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.817 . . . . 0.0 110.561 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' LEU . 33.5 tt0 -74.24 37.35 0.1 Allowed 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' A' ' 62' ' ' ASP . 8.0 t-20 -85.85 -4.97 59.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 11.07 15.59 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 68' ' ' GLU . 45.4 t0 -70.05 -44.18 69.69 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.729 -0.865 . . . . 0.0 110.527 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.11 -7.74 9.77 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.9 mt-10 -122.98 131.37 53.68 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 t -96.14 143.61 11.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.507 -0.745 . . . . 0.0 110.01 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.0 t70 -83.73 29.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.468 -0.77 . . . . 0.0 111.3 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 61.01 -57.3 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.684 -0.635 . . . . 0.0 111.258 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 tt0 -60.04 -39.39 85.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.711 -1.243 . . . . 0.0 109.734 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.879 -1.138 . . . . 0.0 109.894 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 78' ' ' VAL . 63.4 t80 -69.89 -47.74 61.33 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.34 -0.85 . . . . 0.0 113.232 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 4.3 p -59.99 -40.01 81.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.696 -1.253 . . . . 0.0 111.285 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' B' ' 76' ' ' VAL . 72.0 t -70.01 -39.96 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.646 -1.284 . . . . 0.0 111.293 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.37 -56.65 12.96 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.224 -0.923 . . . . 0.0 110.735 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.5 m -72.35 -20.98 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.407 -0.808 . . . . 0.0 111.293 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.31 -54.55 19.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.979 -1.076 . . . . 0.0 109.757 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.96 94.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.427 -0.796 . . . . 0.0 111.203 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.39 -41.85 97.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.788 -1.195 . . . . 0.0 111.109 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -69.2 -39.24 78.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.936 -1.103 . . . . 0.0 110.548 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.13 -42.33 89.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.402 -0.812 . . . . 0.0 109.63 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.99 78.19 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.48 -0.763 . . . . 0.0 110.061 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.77 -38.83 82.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.201 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -39.2 85.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 94.3 m-20 -65.67 -39.96 91.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.029 -1.045 . . . . 0.0 109.478 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.32 -35.23 79.68 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.392 -0.818 . . . . 0.0 109.831 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -69.15 -22.87 63.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.336 -0.852 . . . . 0.0 109.131 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -63.69 -41.49 98.13 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.524 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 52.4 mp0 -65.37 -40.03 93.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.061 -1.024 . . . . 0.0 109.002 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.0 -40.03 87.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 109.052 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.302 -1.457 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.44 -179.732 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.504 2.562 . . . . 0.0 119.504 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -103.47 -66.43 0.94 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.29 -1.123 . . . . 0.0 110.955 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -82.88 -56.53 3.76 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.244 -0.91 . . . . 0.0 111.462 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.5 OUTLIER -60.75 -46.01 92.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.263 -0.898 . . . . 0.0 109.704 -178.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 60.2 tt0 -62.91 -40.06 96.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.357 -0.84 . . . . 0.0 109.08 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.562 ' O ' HG22 ' B' ' 10' ' ' THR . 11.8 m -63.79 -21.02 66.22 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.55 -39.19 77.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.643 -0.661 . . . . 0.0 110.853 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -81.18 -37.14 29.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.591 -1.318 . . . . 0.0 110.446 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 63.1 mm-40 -69.31 -33.95 73.93 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.365 -0.835 . . . . 0.0 110.601 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.562 HG22 ' O ' ' B' ' 6' ' ' THR . 10.1 t -75.68 -45.34 37.48 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 111.931 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.519 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -72.02 -28.44 63.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.075 -1.641 . . . . 0.0 109.154 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -70.06 -38.91 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.096 -1.003 . . . . 0.0 109.923 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -70.47 -40.73 73.5 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.93 0.871 . . . . 0.0 110.475 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -27.57 23.04 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 1.5 m-85 -64.34 -39.99 94.98 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -85.75 -10.75 55.08 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.26 54.93 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 120.932 -1.105 . . . . 0.0 109.458 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -102.68 -21.7 14.07 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.449 -0.782 . . . . 0.0 111.416 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 64.1 m -67.55 -32.83 73.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.017 -1.052 . . . . 0.0 110.805 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 2.57 62.55 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -70.03 -32.13 70.11 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -94.28 -7.4 42.06 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.582 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.8 -15.2 63.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' LYS . 57.3 t0 -84.82 55.98 3.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.125 -1.221 . . . . 0.0 107.861 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.61 -7.42 55.22 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.888 -0.507 . . . . 0.0 110.772 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -84.5 -14.53 48.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.213 . . . . 0.0 108.739 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 24' ' ' ASP . 16.1 ttmm -160.19 160.01 32.3 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 28' ' ' LEU . 37.4 tp -83.34 163.84 20.39 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.77 -1.206 . . . . 0.0 108.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -136.41 168.13 20.02 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.737 -1.227 . . . . 0.0 110.679 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.355 -0.841 . . . . 0.0 112.329 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -76.25 -29.94 57.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.487 -1.383 . . . . 0.0 110.432 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.37 -46.77 72.38 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.321 -0.862 . . . . 0.0 111.485 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.1 pp -69.65 -35.47 75.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 110.939 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.06 -40.05 88.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.98 -1.075 . . . . 0.0 109.352 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.731 ' O ' HG22 ' B' ' 39' ' ' THR . 60.7 t0 -62.86 -37.4 86.7 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.474 -0.766 . . . . 0.0 110.354 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.34 -38.94 81.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 111.742 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 42' ' ' SER . 40.0 mt -78.4 -43.34 27.71 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.416 -1.428 . . . . 0.0 111.42 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -65.19 -19.86 66.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.619 -0.676 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.731 HG22 ' O ' ' B' ' 35' ' ' ASP . 5.0 t -94.54 -45.02 7.58 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.775 -1.203 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 2.8 mt-10 -108.35 -34.58 6.76 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.659 -1.276 . . . . 0.0 112.867 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.5 mp -112.18 26.66 10.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.037 -1.039 . . . . 0.0 110.716 -177.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' B' ' 37' ' ' LEU . 14.3 t -59.92 -47.62 85.03 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.344 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -61.53 -40.0 93.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.252 -0.905 . . . . 0.0 111.523 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.81 -69.67 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.743 -1.223 . . . . 0.0 109.502 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.8 mp -84.35 98.21 9.89 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.97 139.93 57.09 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.613 -1.235 . . . . 0.0 107.884 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.482 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.4 p -160.37 -53.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.92 -1.113 . . . . 0.0 110.646 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.65 HE22 ' HG2' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.0 -42.59 94.59 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.879 -1.128 . . . . 0.0 109.617 -178.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.65 ' HG2' HE22 ' B' ' 48' ' ' GLN . 0.0 OUTLIER -72.11 -39.97 68.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.766 -1.208 . . . . 0.0 109.14 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -106.77 84.91 2.07 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.011 -1.056 . . . . 0.0 109.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.582 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.09 -20.51 54.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.12 -0.988 . . . . 0.0 108.694 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -77.59 -19.95 54.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.714 -1.241 . . . . 0.0 108.015 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.76 76.58 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.582 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.2 p -76.3 -27.43 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.509 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -67.92 -40.1 83.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.413 1.101 . . . . 0.0 108.11 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.92 -40.08 75.78 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.347 1.07 . . . . 0.0 110.74 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -39.97 84.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtp -73.47 -29.88 62.81 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.861 . . . . 0.0 109.356 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -50.77 -41.82 57.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.554 -0.717 . . . . 0.0 109.24 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -72.11 -30.17 64.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.021 . . . . 0.0 109.881 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.7 mp -68.5 -160.43 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.28 -0.887 . . . . 0.0 109.55 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 64' ' ' ASN . 65.4 t0 -64.46 57.97 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 0.0 110.534 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 32.8 tt0 -74.3 37.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' B' ' 62' ' ' ASP . 7.9 t-20 -86.0 -4.94 59.28 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 10.88 16.0 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.7 t0 -70.0 -44.42 69.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.786 -0.832 . . . . 0.0 110.579 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 -8.12 10.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 106.793 -2.523 . . . . 0.0 106.793 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.4 mt-10 -122.69 131.48 53.81 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 t -96.3 143.74 11.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.519 -0.738 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' B' ' 72' ' ' GLN . 8.0 t70 -84.15 30.27 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 111.29 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 60.9 -57.24 0.09 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.736 -0.602 . . . . 0.0 111.319 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.7 tt0 -60.03 -39.56 86.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.696 -1.253 . . . . 0.0 109.77 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.871 -1.143 . . . . 0.0 109.98 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.813 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.9 t80 -69.84 -47.7 61.72 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.4 p -60.1 -39.91 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.114 -176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' A' ' 76' ' ' VAL . 74.2 t -69.82 -40.0 78.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.088 -1.008 . . . . 0.0 111.176 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.78 -56.67 12.14 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.087 -1.008 . . . . 0.0 110.873 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.813 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -72.32 -20.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.46 -0.775 . . . . 0.0 111.187 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.46 -54.58 19.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.067 -1.021 . . . . 0.0 109.842 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.1 95.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 111.103 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.72 -42.36 97.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.811 -1.18 . . . . 0.0 111.114 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -68.86 -39.65 79.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.879 -1.138 . . . . 0.0 110.445 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.86 -42.17 88.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.514 -0.741 . . . . 0.0 109.588 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.98 78.26 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.78 -38.95 83.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.898 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.01 -39.15 84.82 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.507 -0.745 . . . . 0.0 110.224 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.435 ' O ' ' OE1' ' B' ' 91' ' ' GLU . 94.5 m-20 -65.75 -40.04 91.67 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.892 -1.13 . . . . 0.0 109.464 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.19 -35.24 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.399 -0.813 . . . . 0.0 109.868 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.93 -23.21 64.13 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 0.0 109.112 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.201 -0.937 . . . . 0.0 109.549 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 52.5 mp0 -65.54 -39.94 92.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.091 -1.005 . . . . 0.0 108.892 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.229 -0.919 . . . . 0.0 109.113 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.514 -179.612 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.807 0 N-CA-C 119.354 2.501 . . . . 0.0 119.354 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 6' ' ' THR . 70.6 m -75.12 18.28 0.2 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -1.148 . . . . 0.0 108.824 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 1' ' ' GLY . 75.2 mt-10 -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' B' ' 41' ' ' LEU . 59.4 tp -69.95 -40.04 75.67 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.32 -40.01 89.65 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.726 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.62 ' O ' HG22 ' A' ' 10' ' ' THR . 18.1 m -66.68 -21.03 66.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.22 -39.6 78.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.361 0.6 . . . . 0.0 110.593 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 8' ' ' MET . 1.2 mpt? -81.82 -39.14 24.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.595 -1.316 . . . . 0.0 110.522 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 78.5 mm-40 -69.64 -28.13 65.64 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 120.918 -1.114 . . . . 0.0 110.907 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 6' ' ' THR . 9.6 t -80.15 -47.66 14.39 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.464 -0.772 . . . . 0.0 111.852 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -68.32 -27.95 66.73 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 117.864 -1.534 . . . . 0.0 108.589 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 8' ' ' MET . 6.0 mm -70.04 -40.07 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 121.593 0.711 . . . . 0.0 110.27 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 12.6 m120 -67.05 -39.95 87.03 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.976 0.893 . . . . 0.0 109.778 -178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -28.5 20.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -89.93 -10.0 46.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.04 56.59 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 119.151 -1.02 . . . . 0.0 109.043 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -101.27 -38.57 8.02 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.477 -0.764 . . . . 0.0 111.213 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -60.11 -35.88 76.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.042 -1.036 . . . . 0.0 110.44 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.74 6.71 77.22 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -84.49 -25.39 28.91 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.619 -0.93 . . . . 0.0 109.629 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -96.77 -7.02 34.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.437 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.08 -25.59 26.31 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.33 61.72 2.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.14 -15.12 57.78 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.456 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -83.24 -14.72 52.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.871 -1.143 . . . . 0.0 109.172 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.61 153.7 33.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.231 -0.918 . . . . 0.0 109.702 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -82.66 165.79 19.7 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.6 m -133.58 162.86 30.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.983 -1.073 . . . . 0.0 110.094 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.72 -39.97 86.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.288 -0.882 . . . . 0.0 110.922 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -78.18 -32.02 49.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.606 -1.309 . . . . 0.0 110.449 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.49 -47.07 87.31 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.138 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.6 pp -69.48 -31.82 70.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' LEU . 58.5 tttm -65.26 -32.53 74.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.081 -1.012 . . . . 0.0 109.683 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 39' ' ' THR . 11.6 t70 -67.88 -40.03 83.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.358 -0.839 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.71 -40.08 84.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.18 -0.95 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.6 -43.87 58.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.741 -1.225 . . . . 0.0 111.622 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.31 -21.67 63.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.323 -0.861 . . . . 0.0 109.485 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.0 p -80.01 -52.33 7.96 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.24 -0.912 . . . . 0.0 111.456 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 41' ' ' LEU . 22.6 mm-40 -113.65 -27.36 7.87 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.052 -1.03 . . . . 0.0 113.252 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 40' ' ' GLU . 6.2 mp -110.65 23.97 13.54 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 120.867 -1.145 . . . . 0.0 110.972 -177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.7 p -59.97 -37.98 81.18 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.037 -1.039 . . . . 0.0 110.26 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 t -68.9 -41.35 78.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.058 -1.026 . . . . 0.0 111.171 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.97 -70.01 0.55 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.686 -1.259 . . . . 0.0 110.404 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.1 mp -81.65 93.66 6.8 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 32.0 p-10 -58.03 92.46 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.4 p -106.35 -18.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.452 -0.78 . . . . 0.0 109.974 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.31 -57.74 2.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 111.643 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.94 -49.36 77.97 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.952 -177.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 92.3 m-20 -95.28 78.4 3.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.345 -1.472 . . . . 0.0 109.665 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.95 -19.67 19.33 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -67.76 -34.88 77.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.643 -0.661 . . . . 0.0 109.313 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.0 p -78.23 -29.05 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.339 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -65.46 -39.89 92.55 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.547 1.165 . . . . 0.0 108.176 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.93 -40.02 75.76 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.655 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.673 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -177.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.0 ppp? -83.04 -25.69 31.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.586 -1.321 . . . . 0.0 110.46 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -35.47 75.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.6 mp -80.58 -69.94 0.56 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.706 0.765 . . . . 0.0 110.332 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 92.7 m-20 -69.17 44.62 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.749 -0.594 . . . . 0.0 110.224 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' LEU . 58.2 mm-40 -57.66 -18.13 18.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -80.04 -3.21 47.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.79 32.7 85.09 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.9 p-10 -90.05 -0.07 57.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.008 -1.29 . . . . 0.0 110.606 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.21 4.35 0.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -128.55 139.66 52.18 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.95 147.37 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 CA-C-O 121.57 0.7 . . . . 0.0 110.296 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 84.7 m-20 -81.77 8.23 10.62 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.564 -0.71 . . . . 0.0 111.354 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 18.0 t80 82.01 -60.63 0.19 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.799 -0.563 . . . . 0.0 111.235 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.96 -36.89 78.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.036 -1.04 . . . . 0.0 110.179 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -60.03 -39.91 87.5 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.905 -1.122 . . . . 0.0 108.592 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 78' ' ' VAL . 64.7 t80 -68.98 -40.11 79.01 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 112.772 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.1 p -60.02 -40.14 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.204 -1.56 . . . . 0.0 110.201 -177.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.02 -39.69 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 110.388 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG13 ' A' ' 57' ' ' ILE . 26.4 tp -59.93 -56.8 17.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.445 -0.784 . . . . 0.0 112.483 -176.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 74' ' ' PHE . 10.1 m -79.94 -20.46 12.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.815 . . . . 0.0 111.159 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.45 -46.78 72.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.828 -1.17 . . . . 0.0 109.363 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.92 -40.04 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.018 -1.051 . . . . 0.0 110.943 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.99 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.998 -1.064 . . . . 0.0 110.9 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.9 m -61.47 -40.09 93.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.396 -0.815 . . . . 0.0 110.924 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.96 -42.96 91.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.411 -0.806 . . . . 0.0 109.553 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.34 85.18 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.563 -0.711 . . . . 0.0 109.883 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.79 . . . . 0.0 110.185 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.77 -38.62 78.89 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.12 -20.67 55.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.903 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.03 -42.22 93.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.046 -1.034 . . . . 0.0 110.332 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.41 -14.64 56.9 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.127 -0.983 . . . . 0.0 109.659 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -73.49 -21.67 60.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.895 . . . . 0.0 110.589 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.1 -37.29 79.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.884 -1.135 . . . . 0.0 109.443 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.97 -39.98 87.53 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.326 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.764 0 N-CA-C 119.425 2.53 . . . . 0.0 119.425 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.468 ' O ' ' N ' ' B' ' 6' ' ' THR . 70.7 m -74.94 18.39 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.142 -1.211 . . . . 0.0 108.84 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 1' ' ' GLY . 75.2 mt-10 -60.11 -49.28 78.29 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' A' ' 41' ' ' LEU . 59.0 tp -69.91 -40.06 75.8 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.33 -39.91 89.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.614 ' O ' HG22 ' B' ' 10' ' ' THR . 18.7 m -66.6 -21.18 66.13 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.21 -39.47 78.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.683 -0.636 . . . . 0.0 110.639 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 8' ' ' MET . 1.2 mpt? -81.83 -39.27 24.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.688 -1.258 . . . . 0.0 110.426 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 78.4 mm-40 -69.48 -28.32 65.98 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.942 -1.099 . . . . 0.0 110.95 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.614 HG22 ' O ' ' B' ' 6' ' ' THR . 9.6 t -79.96 -47.61 14.71 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.499 -0.751 . . . . 0.0 111.923 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.581 ' N ' HG23 ' B' ' 10' ' ' THR . 2.8 pp -68.56 -27.76 66.36 Favored 'General case' 0 C--O 1.201 -1.447 0 C-N-CA 117.962 -1.495 . . . . 0.0 108.445 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' B' ' 8' ' ' MET . 5.6 mm -70.46 -39.68 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.645 -0.659 . . . . 0.0 110.28 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 12.9 m120 -67.5 -39.98 85.19 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.969 0.89 . . . . 0.0 109.705 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -28.47 21.4 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -33.55 74.32 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -89.62 -10.2 46.86 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.51 59.81 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.137 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -101.07 -38.63 8.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.553 -0.717 . . . . 0.0 111.272 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.3 t -60.01 -36.03 76.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.006 -1.059 . . . . 0.0 110.389 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.71 6.72 77.31 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.4 -25.31 29.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.505 -0.997 . . . . 0.0 109.64 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.75 -7.0 34.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.292 -0.88 . . . . 0.0 110.452 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.01 -25.47 26.76 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.3 61.59 2.79 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.01 -15.11 57.89 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -83.22 -14.74 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.875 -1.14 . . . . 0.0 109.123 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.76 153.55 33.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.7 tp -82.48 165.77 19.91 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.5 m -133.23 163.56 29.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.844 -1.16 . . . . 0.0 110.019 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.428 -0.795 . . . . 0.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -78.23 -32.37 49.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.707 -1.246 . . . . 0.0 110.467 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.22 -47.1 87.63 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.356 -0.84 . . . . 0.0 110.151 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.5 pp -69.59 -31.77 70.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.426 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.1 tttm -65.23 -32.35 73.98 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.016 -1.053 . . . . 0.0 109.615 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.574 ' O ' HG23 ' B' ' 39' ' ' THR . 11.9 t70 -68.59 -38.71 80.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.345 -0.847 . . . . 0.0 110.317 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.59 -40.0 80.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 111.22 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -74.05 -43.67 56.97 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 111.507 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.19 -21.91 63.93 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.345 -0.847 . . . . 0.0 109.374 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.91 -52.32 8.02 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.537 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' HB2' HD12 ' B' ' 41' ' ' LEU . 23.3 mm-40 -113.49 -27.32 7.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.087 -1.008 . . . . 0.0 113.154 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.2 mp -110.7 24.04 13.45 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 120.822 -1.173 . . . . 0.0 111.019 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 p -60.05 -38.07 81.69 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.045 -1.035 . . . . 0.0 110.154 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -68.45 -41.69 79.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.148 -0.97 . . . . 0.0 111.23 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -79.98 -69.99 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 110.442 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.434 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.2 mp -81.56 93.6 6.73 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 31.8 p-10 -58.02 92.73 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 109.594 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.4 p -106.59 -18.07 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.467 -0.771 . . . . 0.0 109.862 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.21 -57.86 2.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.905 -1.122 . . . . 0.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.497 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.95 -49.27 78.34 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.043 -177.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.0 m-20 -95.38 78.05 3.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.351 -1.468 . . . . 0.0 109.779 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.55 -19.77 17.35 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -74.87 -21.54 59.18 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -67.4 -35.4 79.23 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' B' ' 51' ' ' ALA . 2.9 p -78.2 -28.57 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.469 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.57 -39.91 92.18 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.573 1.178 . . . . 0.0 108.161 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.14 -39.96 75.09 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.519 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.68 HG13 HD21 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -64.59 -39.98 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.914 -0.491 . . . . 0.0 110.454 -177.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.0 ppp? -82.96 -25.73 32.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.548 -1.345 . . . . 0.0 110.408 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.93 -40.62 89.52 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -35.76 75.72 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 2.3 mp -80.46 -70.1 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.715 0.769 . . . . 0.0 110.207 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 92.4 m-20 -68.74 44.46 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.751 -0.593 . . . . 0.0 110.342 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' B' ' 61' ' ' LEU . 58.4 mm-40 -57.62 -18.23 18.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.97 -3.57 48.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.16 32.77 85.01 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.9 p-10 -90.15 -0.43 57.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.082 -1.246 . . . . 0.0 110.469 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.44 4.3 0.35 Allowed Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.3 mt-10 -128.41 139.52 52.32 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.94 147.31 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.634 0.731 . . . . 0.0 110.169 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 84.5 m-20 -81.81 8.19 10.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.73 . . . . 0.0 111.386 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' B' ' 70' ' ' ASP . 18.0 t80 82.16 -60.49 0.18 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.787 -0.571 . . . . 0.0 111.207 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.01 -37.06 78.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 110.115 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.912 -1.117 . . . . 0.0 108.562 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.5 t80 -68.99 -40.1 78.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.561 -0.712 . . . . 0.0 112.843 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -60.05 -40.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.097 -1.627 . . . . 0.0 110.136 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.99 -39.92 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.007 -1.058 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.68 HD21 HG13 ' B' ' 57' ' ' ILE . 26.2 tp -59.9 -56.81 17.1 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.404 -0.81 . . . . 0.0 112.619 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' B' ' 74' ' ' PHE . 7.4 m -79.98 -20.38 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 111.057 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.57 -46.63 72.1 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.816 -1.177 . . . . 0.0 109.31 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.017 . . . . 0.0 110.961 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.02 -49.98 75.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.017 -1.052 . . . . 0.0 110.799 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -61.59 -39.97 93.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.329 -0.857 . . . . 0.0 110.805 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -59.99 -42.89 91.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 O-C-N 121.379 -0.826 . . . . 0.0 109.567 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.21 85.06 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -59.94 -39.94 87.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.598 -0.689 . . . . 0.0 110.304 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.87 -38.77 79.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.845 -1.159 . . . . 0.0 108.476 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.0 -20.73 55.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.11 -42.16 94.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.0 110.19 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -81.26 -14.81 57.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.139 -0.975 . . . . 0.0 109.728 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.45 -21.77 60.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.397 -0.815 . . . . 0.0 110.695 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -59.92 -37.4 79.36 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.495 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.8 t-20 -59.96 -39.97 87.41 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.293 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.918 0 N-CA-C 119.37 2.508 . . . . 0.0 119.37 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -99.06 22.15 10.73 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -1.071 . . . . 0.0 109.34 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' HG1' ' B' ' 10' ' ' THR . 72.2 mt-10 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.783 . . . . 0.0 109.542 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -71.09 -39.47 72.11 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.73 -40.06 96.02 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.604 0.716 . . . . 0.0 109.077 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 10' ' ' THR . 16.4 m -64.53 -21.94 66.83 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.23 -35.07 75.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.49 -0.756 . . . . 0.0 110.257 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 mtm -79.72 -34.81 39.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.338 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.74 -37.91 76.65 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.524 -0.735 . . . . 0.0 110.547 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.5 t -73.05 -53.15 11.83 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.576 -0.703 . . . . 0.0 111.871 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.598 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -63.3 -31.08 72.14 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 120.521 -1.362 . . . . 0.0 109.46 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.92 -31.97 49.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 120.526 -1.359 . . . . 0.0 109.519 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -70.98 -44.66 65.5 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.531 -0.731 . . . . 0.0 110.691 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 m -70.96 -28.61 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.43 -41.43 96.58 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.734 0.778 . . . . 0.0 109.095 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -89.54 -9.17 50.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.43 -40.01 64.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.213 -0.929 . . . . 0.0 108.729 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.964 ' CE1' HD11 ' A' ' 36' ' ' LEU . 5.9 p-80 -98.2 -43.12 7.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.549 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 72.6 m -55.34 -27.88 50.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 108.967 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.38 85.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -68.53 -40.09 80.88 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -109.95 93.25 4.4 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.04 -12.68 67.74 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -60.13 -48.92 79.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.964 -1.315 . . . . 0.0 108.041 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -82.25 127.84 33.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 61.8 t80 -94.37 48.58 1.24 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.97 165.94 26.76 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 29' ' ' SER . 42.3 tp -80.87 167.12 20.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.753 -1.217 . . . . 0.0 107.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.2 t -136.95 165.33 26.24 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.971 -1.081 . . . . 0.0 110.329 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -59.28 -39.98 84.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.711 . . . . 0.0 111.183 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -74.5 -32.78 62.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.757 -1.214 . . . . 0.0 110.493 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 41.2 mt-10 -60.84 -53.8 52.88 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.821 0.819 . . . . 0.0 110.558 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -33.12 74.67 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.143 -0.973 . . . . 0.0 110.807 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.6 -39.9 95.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.921 -1.112 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 26.8 t0 -61.7 -41.15 97.2 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 110.399 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 ' CE1' ' A' ' 18' ' ' HIS . 78.4 mt -63.03 -40.0 96.41 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 112.079 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 45' ' ' LEU . 79.6 mt -77.4 -40.89 42.06 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.813 -1.179 . . . . 0.0 111.229 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HB2' HE21 ' A' ' 48' ' ' GLN . 14.2 pt20 -72.74 -19.99 61.28 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 109.29 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.2 p -77.56 -58.47 3.25 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.289 -0.882 . . . . 0.0 111.136 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 12.3 mt-10 -110.67 -28.9 8.24 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.04 -1.037 . . . . 0.0 112.342 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -110.28 29.42 7.69 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 120.802 -1.186 . . . . 0.0 110.801 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -59.94 -46.96 87.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.931 -1.105 . . . . 0.0 110.682 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.0 t -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 111.47 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.724 -1.235 . . . . 0.0 110.309 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' O ' HG12 ' A' ' 47' ' ' VAL . 77.4 mt -82.34 95.39 7.6 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.03 140.07 57.04 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.469 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -162.37 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.0 -1.063 . . . . 0.0 109.991 -178.546 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.696 ' H ' HG13 ' A' ' 47' ' ' VAL . 2.4 pt20 -43.53 -40.46 3.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.666 -0.646 . . . . 0.0 110.557 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.14 -42.67 65.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.88 -1.137 . . . . 0.0 109.348 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -103.52 87.13 2.77 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.072 -1.017 . . . . 0.0 108.855 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -61.03 -24.45 66.19 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.263 -0.898 . . . . 0.0 108.973 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.6 -23.04 61.65 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.428 -1.42 . . . . 0.0 107.79 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.17 85.2 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.1 p -70.09 -29.53 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.359 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -66.28 -38.59 88.16 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 122.426 1.108 . . . . 0.0 108.545 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -39.01 83.48 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.769 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 pt -80.06 -29.06 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.079 -1.013 . . . . 0.0 111.444 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.494 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -80.5 -27.07 37.83 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.474 -1.391 . . . . 0.0 108.462 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' SD ' ' A' ' 58' ' ' MET . 29.3 ttmt -65.72 -46.76 77.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.56 -0.713 . . . . 0.0 109.709 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -60.06 -40.04 88.11 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -74.15 -58.51 3.25 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.651 0.739 . . . . 0.0 109.315 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 94.7 m-20 -82.46 25.4 0.63 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LYS . 18.0 pt-20 -50.64 -19.02 0.8 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.225 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -74.49 4.8 5.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 110.776 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.63 43.09 19.89 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 68' ' ' GLU . 18.7 p-10 -141.68 95.97 2.9 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.82 26.34 0.01 OUTLIER Glycine 0 N--CA 1.507 3.385 0 O-C-N 121.879 -0.513 . . . . 0.0 111.998 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 66' ' ' ASP . 95.9 mt-10 -128.81 128.31 43.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 71' ' ' PHE . 46.7 t -95.8 154.21 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.19 -0.944 . . . . 0.0 110.939 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 39.5 t0 -95.77 16.26 17.97 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.356 -0.84 . . . . 0.0 112.316 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 2.4 m-85 81.8 -63.94 0.15 Allowed 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.229 -0.92 . . . . 0.0 112.112 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.07 -39.42 85.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.943 -1.098 . . . . 0.0 110.334 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.08 -40.06 88.24 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.678 -1.264 . . . . 0.0 109.523 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 78' ' ' VAL . 90.3 t80 -68.44 -50.84 49.68 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.0 -38.58 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 O-C-N 120.817 -1.177 . . . . 0.0 111.254 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 76' ' ' VAL . 54.1 t -65.33 -40.01 87.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.56 -1.337 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.24 -58.48 4.35 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.002 -1.061 . . . . 0.0 112.574 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.05 -23.81 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.379 -0.826 . . . . 0.0 111.019 -178.175 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.46 72.58 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.003 -1.06 . . . . 0.0 110.377 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.3 81.82 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.213 -0.93 . . . . 0.0 111.168 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.45 -39.84 85.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.666 -1.271 . . . . 0.0 110.473 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' VAL . 66.9 p -69.83 -46.59 65.29 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.917 -1.114 . . . . 0.0 111.966 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.6 p -62.77 -40.0 86.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 120.521 -1.362 . . . . 0.0 109.098 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.46 -39.95 92.75 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.684 -0.635 . . . . 0.0 110.914 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 14.9 p -66.04 -40.09 90.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.913 -1.117 . . . . 0.0 110.346 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.9 t-20 -59.96 -40.11 87.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.875 -1.141 . . . . 0.0 109.472 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.74 -27.27 63.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.375 -0.828 . . . . 0.0 109.397 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.98 -44.26 94.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.393 -0.817 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -76.72 -23.28 53.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.211 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -71.02 -16.69 62.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.431 -0.793 . . . . 0.0 109.143 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.95 -39.45 85.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 93' ' ' SER . 97.4 m-20 -59.92 -40.01 87.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.123 -0.986 . . . . 0.0 109.444 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 92' ' ' ASN . 6.1 t . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.554 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.866 0 N-CA-C 119.405 2.522 . . . . 0.0 119.405 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -99.08 22.07 10.87 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.408 -1.054 . . . . 0.0 109.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.511 ' C ' ' HG1' ' A' ' 10' ' ' THR . 70.5 mt-10 -59.98 -50.05 75.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.401 -0.812 . . . . 0.0 109.509 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.474 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -71.0 -39.5 72.38 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.776 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.76 -40.05 96.07 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.523 ' O ' HG22 ' B' ' 10' ' ' THR . 16.4 m -64.54 -21.89 66.81 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.98 -34.99 76.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.545 -0.722 . . . . 0.0 110.414 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -80.41 -34.64 36.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.028 -1.045 . . . . 0.0 110.367 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.55 -38.2 77.35 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.606 0.717 . . . . 0.0 110.432 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.593 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.4 t -73.07 -53.39 11.22 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.572 -0.705 . . . . 0.0 111.81 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.593 ' N ' HG23 ' B' ' 10' ' ' THR . 2.9 pp -62.98 -31.08 72.13 Favored 'General case' 0 C--O 1.198 -1.609 0 O-C-N 120.428 -1.42 . . . . 0.0 109.436 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.0 -31.7 48.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 120.452 -1.405 . . . . 0.0 109.663 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -71.58 -44.25 64.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.0 110.807 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -70.61 -29.09 36.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 10.1 t80 -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.731 0.777 . . . . 0.0 109.138 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.74 -8.59 51.91 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.97 63.74 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.3 -0.875 . . . . 0.0 108.742 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.958 ' CE1' HD11 ' B' ' 36' ' ' LEU . 5.9 p-80 -98.31 -43.05 7.1 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.212 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 73.8 m -55.38 -27.85 50.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.366 -0.834 . . . . 0.0 109.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.34 85.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -68.65 -40.01 80.44 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -109.94 93.34 4.45 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.98 -12.87 67.54 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.01 -49.11 78.96 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.943 -1.328 . . . . 0.0 108.113 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 127.57 33.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.121 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 62.8 t80 -94.0 47.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.87 165.28 27.93 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' B' ' 29' ' ' SER . 42.6 tp -80.26 167.01 20.82 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.724 -1.235 . . . . 0.0 108.016 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 19.3 t -136.22 166.42 23.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.298 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.0 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.784 -0.573 . . . . 0.0 111.334 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -74.61 -32.95 62.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.909 -1.119 . . . . 0.0 110.565 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 29' ' ' SER . 41.6 mt-10 -60.69 -54.0 50.65 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.815 0.817 . . . . 0.0 110.524 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -62.59 -33.66 75.43 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 110.856 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.11 -40.04 94.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.801 -1.187 . . . . 0.0 110.44 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.617 ' O ' HG23 ' B' ' 39' ' ' THR . 26.4 t0 -61.97 -40.02 94.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.641 0.734 . . . . 0.0 110.669 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.958 HD11 ' CE1' ' B' ' 18' ' ' HIS . 76.5 mt -64.04 -40.03 95.4 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.994 -177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.32 -41.01 42.22 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.832 -1.168 . . . . 0.0 111.252 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.406 ' HB2' HE21 ' B' ' 48' ' ' GLN . 14.2 pt20 -72.51 -20.01 61.43 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.312 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.617 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -77.47 -58.75 3.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.264 -0.898 . . . . 0.0 111.123 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.6 mt-10 -110.56 -28.86 8.3 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.953 -1.092 . . . . 0.0 112.291 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.493 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -110.1 29.32 7.76 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.921 -1.112 . . . . 0.0 110.859 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t -59.99 -46.85 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.897 -1.127 . . . . 0.0 110.578 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.1 t -64.71 -40.01 94.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.247 -0.908 . . . . 0.0 111.479 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.858 -1.151 . . . . 0.0 110.326 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.472 ' O ' HG12 ' B' ' 47' ' ' VAL . 77.4 mt -82.38 95.34 7.61 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.0 140.0 57.06 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.473 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.694 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -162.35 -68.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.018 . . . . 0.0 110.074 -178.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.694 ' H ' HG13 ' B' ' 47' ' ' VAL . 2.1 pt20 -43.95 -40.48 4.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.548 -0.72 . . . . 0.0 110.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -71.95 -42.21 66.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.857 -1.152 . . . . 0.0 109.407 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -103.77 86.68 2.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.191 -0.943 . . . . 0.0 108.947 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -61.06 -24.42 66.2 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.961 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -71.41 -23.48 61.88 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.462 -1.399 . . . . 0.0 107.813 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.6 p -69.44 -29.42 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.351 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -66.53 -38.35 86.98 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 122.52 1.152 . . . . 0.0 108.447 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -40.0 84.62 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.656 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pt -79.82 -28.39 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.883 -1.136 . . . . 0.0 111.538 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -80.59 -26.99 37.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.405 -1.435 . . . . 0.0 108.43 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.446 ' N ' ' SD ' ' B' ' 58' ' ' MET . 28.6 ttmt -66.07 -46.36 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.701 . . . . 0.0 109.608 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.2 -40.01 88.55 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -74.25 -58.4 3.32 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.636 0.731 . . . . 0.0 109.277 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 94.7 m-20 -82.59 25.48 0.64 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.554 -0.717 . . . . 0.0 109.118 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -50.88 -18.36 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.278 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' B' ' 62' ' ' ASP . 23.4 t-20 -74.91 4.66 6.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.425 -0.797 . . . . 0.0 110.668 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.97 19.61 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.6 p-10 -141.71 96.06 2.91 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.91 26.45 0.01 OUTLIER Glycine 0 N--CA 1.507 3.392 0 O-C-N 121.894 -0.504 . . . . 0.0 112.003 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.67 ' N ' ' O ' ' B' ' 66' ' ' ASP . 95.9 mt-10 -128.92 128.01 42.92 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 71' ' ' PHE . 46.4 t -95.58 154.4 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.247 -0.908 . . . . 0.0 110.977 -177.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 38.7 t0 -95.81 16.11 18.45 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.299 -0.876 . . . . 0.0 112.258 -177.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 2.4 m-85 81.99 -64.05 0.14 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.118 -0.989 . . . . 0.0 112.016 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.95 -39.7 86.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.897 -1.127 . . . . 0.0 110.264 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -59.96 -40.06 87.73 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.707 -1.245 . . . . 0.0 109.534 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.489 ' O ' HG22 ' B' ' 78' ' ' VAL . 90.5 t80 -68.49 -50.87 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.406 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.2 p -59.95 -39.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 120.795 -1.191 . . . . 0.0 111.073 -176.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 76' ' ' VAL . 53.6 t -64.3 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 120.796 -1.19 . . . . 0.0 111.108 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.77 -58.49 4.13 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.891 -1.131 . . . . 0.0 112.588 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -70.07 -23.61 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.442 -0.786 . . . . 0.0 111.041 -178.022 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.1 -43.2 71.55 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.116 -0.99 . . . . 0.0 110.276 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.127 -0.983 . . . . 0.0 111.056 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.842 -1.161 . . . . 0.0 110.657 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' O ' ' B' ' 78' ' ' VAL . 78.6 p -69.64 -47.17 64.32 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.887 -1.133 . . . . 0.0 111.831 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.4 p -62.12 -39.98 85.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.413 -1.43 . . . . 0.0 109.232 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.52 -40.1 93.42 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.541 -0.724 . . . . 0.0 110.847 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 14.7 p -65.81 -40.08 91.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.86 -1.15 . . . . 0.0 110.336 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.505 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 28.9 t-20 -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.069 -1.019 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.72 -27.39 63.94 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.348 -0.845 . . . . 0.0 109.416 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.91 -44.34 94.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.387 -0.821 . . . . 0.0 109.817 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -76.69 -23.27 53.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 109.21 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -71.05 -16.58 62.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.31 -0.869 . . . . 0.0 109.074 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.86 -39.61 85.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.81 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 93' ' ' SER . 97.4 m-20 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 0.0 109.387 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 92' ' ' ASN . 5.8 t . . . . . 0 C--N 1.301 -1.533 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.535 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.927 0 N-CA-C 119.816 2.687 . . . . 0.0 119.816 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -106.34 21.05 18.03 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.307 -1.113 . . . . 0.0 108.969 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 10' ' ' THR . 34.2 tt0 -59.65 -50.15 74.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.9 OUTLIER -72.32 -39.73 67.99 Favored 'General case' 0 C--N 1.285 -2.22 0 O-C-N 120.654 -1.278 . . . . 0.0 108.508 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.17 -40.19 89.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 10' ' ' THR . 20.4 m -60.75 -22.95 64.58 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -68.94 -35.12 76.42 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' HD21 ' B' ' 41' ' ' LEU . 68.8 mtp -74.57 -37.59 62.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.78 -1.2 . . . . 0.0 109.573 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 94.7 mt-10 -68.17 -38.99 82.68 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.71 0.767 . . . . 0.0 111.374 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.8 t -73.71 -51.76 15.5 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 10' ' ' THR . 2.5 pp -69.3 -25.75 64.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.135 -1.603 . . . . 0.0 108.833 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.63 -28.78 22.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.045 -1.035 . . . . 0.0 108.999 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 96.2 m-20 -73.05 -40.42 65.12 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.735 0.779 . . . . 0.0 109.402 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 36' ' ' LEU . 1.2 t -70.42 -34.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.613 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 37.6 t80 -60.33 -42.13 94.99 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -85.58 -9.26 57.59 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.71 -38.08 48.1 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.939 -1.101 . . . . 0.0 109.917 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' ND1' HD21 ' A' ' 36' ' ' LEU . 78.7 m80 -103.53 -37.7 7.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.279 -0.888 . . . . 0.0 110.858 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -56.45 -28.45 59.61 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.175 -0.953 . . . . 0.0 110.406 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.43 0.06 61.4 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.55 -31.35 63.59 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.534 -0.98 . . . . 0.0 109.543 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -95.03 -5.91 43.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.0 111.632 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.89 -11.38 70.73 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' TYR . 99.6 m-20 -84.43 25.12 0.91 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 23' ' ' GLY . 25.3 ttmt -42.88 -13.21 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.206 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' N ' ' O ' ' A' ' 24' ' ' ASP . 94.4 m-85 -90.1 -15.55 31.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.607 -1.308 . . . . 0.0 109.416 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -148.68 150.2 32.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.017 -1.052 . . . . 0.0 109.943 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.4 165.68 19.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.08 -1.013 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -136.49 164.5 28.03 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.732 -1.23 . . . . 0.0 110.504 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.96 -39.95 87.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.512 -0.742 . . . . 0.0 111.325 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 10.5 tmtt? -77.0 -32.13 56.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.647 -1.283 . . . . 0.0 110.421 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.73 -49.99 74.21 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.768 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -70.66 -33.81 71.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 111.451 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 50.0 tttm -60.37 -37.35 80.47 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 120.805 -1.185 . . . . 0.0 109.078 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 39' ' ' THR . 70.1 m-20 -66.41 -39.82 89.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 110.116 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 14' ' ' VAL . 72.2 mt -61.45 -40.18 93.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.102 -0.999 . . . . 0.0 110.571 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 42' ' ' SER . 21.6 mt -73.51 -40.1 64.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.969 -1.082 . . . . 0.0 110.13 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 28.0 mt-30 -69.92 -22.3 63.21 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.561 0.696 . . . . 0.0 109.697 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' ASP . 22.6 p -90.45 -53.16 4.56 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 112.788 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.1 mt-10 -109.96 -32.39 7.05 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.73 -1.231 . . . . 0.0 112.709 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -111.5 26.51 10.58 Favored 'General case' 0 N--CA 1.516 2.825 0 O-C-N 120.898 -1.126 . . . . 0.0 109.808 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' LEU . 55.1 p -60.39 -40.08 89.64 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.167 -0.958 . . . . 0.0 111.102 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.22 -40.56 86.43 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.913 -1.117 . . . . 0.0 111.782 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -76.45 -68.62 0.57 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.681 -1.262 . . . . 0.0 109.842 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.9 mp -81.02 98.52 8.0 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 82.4 m-20 -62.95 80.9 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.999 -0.68 . . . . 0.0 110.083 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -94.04 -15.01 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.62 -0.675 . . . . 0.0 109.591 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -80.13 -69.42 0.59 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 112.248 -178.136 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.18 -50.24 71.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 110.474 -176.336 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.7 m-20 -93.45 77.17 4.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.258 -1.526 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.09 -21.3 21.29 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 63.4 t0 -70.15 -26.88 64.13 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.38 -32.54 73.36 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -75.53 -30.43 22.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.634 -0.666 . . . . 0.0 110.022 -179.327 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -70.25 -39.5 74.98 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 109.012 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HZ2' ' HA ' ' A' ' 53' ' ' ALA . 10.1 mtmp? -69.69 -39.89 76.67 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.175 0.988 . . . . 0.0 109.902 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.66 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.84 -38.95 84.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ASP . 91.0 mmm -71.51 -30.41 65.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.153 -0.967 . . . . 0.0 109.689 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -55.32 -40.64 71.38 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.63 -34.53 78.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.8 mp -81.71 -70.04 0.57 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.508 0.67 . . . . 0.0 110.564 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' MET . 91.0 m-20 -74.49 34.87 0.1 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.528 -0.732 . . . . 0.0 109.624 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 61' ' ' LEU . 89.4 tt0 -54.41 -21.31 9.36 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.09 -3.36 58.77 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.476 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.37 32.9 64.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' GLU . 48.8 p-10 -91.97 -3.24 56.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.097 -1.237 . . . . 0.0 110.199 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.09 8.63 0.26 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -135.48 157.54 46.63 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.23 -1.159 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.13 157.24 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 121.87 0.843 . . . . 0.0 111.636 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.48 20.28 5.46 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 23.5 t80 62.31 -40.94 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 122.134 -0.354 . . . . 0.0 111.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.04 -29.91 67.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.462 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 33.8 mt-10 -68.54 -40.67 80.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.764 -1.21 . . . . 0.0 108.966 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -67.22 -43.6 81.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.839 -0.538 . . . . 0.0 112.233 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG11 HG21 ' B' ' 83' ' ' VAL . 4.0 p -59.92 -39.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.553 -1.342 . . . . 0.0 110.11 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.8 -39.99 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.734 -1.229 . . . . 0.0 110.787 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.66 HD21 HG13 ' A' ' 57' ' ' ILE . 13.1 tp -62.68 -57.46 10.94 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.086 -1.009 . . . . 0.0 112.256 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.765 HG21 ' CE1' ' A' ' 74' ' ' PHE . 2.6 m -74.31 -21.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.662 -0.649 . . . . 0.0 110.513 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.15 -53.08 22.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.826 -1.171 . . . . 0.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.81 -40.47 75.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.946 -1.096 . . . . 0.0 111.214 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.64 -46.95 87.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.842 -1.161 . . . . 0.0 109.986 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.3 m -62.11 -40.04 94.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.412 -0.805 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' ALA . 50.6 t -60.19 -40.29 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.453 -0.78 . . . . 0.0 109.453 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.82 87.1 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.617 -0.677 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.13 -42.09 94.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.247 -0.908 . . . . 0.0 110.9 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -61.56 -40.2 93.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 110.107 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.259 -0.901 . . . . 0.0 108.79 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.5 -40.23 90.63 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -95.5 7.56 45.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.938 -1.101 . . . . 0.0 110.579 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -65.82 -34.57 78.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.052 -1.03 . . . . 0.0 109.958 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.78 -40.85 89.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.122 . . . . 0.0 110.185 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.54 -39.75 89.02 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.185 -0.947 . . . . 0.0 109.474 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.658 -179.53 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.009 0 N-CA-C 119.634 2.614 . . . . 0.0 119.634 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -106.23 21.01 18.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.284 -1.127 . . . . 0.0 109.017 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . 33.7 tt0 -59.9 -49.89 75.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 110.197 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.9 OUTLIER -72.22 -40.04 68.08 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.641 -1.287 . . . . 0.0 108.441 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.13 -40.03 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 10' ' ' THR . 20.1 m -60.79 -23.07 64.74 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.07 -35.23 76.29 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.742 -0.598 . . . . 0.0 110.916 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -73.48 -39.33 64.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.676 -1.265 . . . . 0.0 109.486 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 92.1 mt-10 -66.56 -39.57 88.57 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.626 0.727 . . . . 0.0 111.754 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.516 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.9 t -73.61 -51.02 18.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -175.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.516 ' N ' HG23 ' B' ' 10' ' ' THR . 2.5 pp -70.09 -25.55 63.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.179 -1.576 . . . . 0.0 108.699 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.84 -28.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.062 -1.024 . . . . 0.0 108.961 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.3 m-20 -73.39 -39.89 64.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.845 . . . . 0.0 109.586 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.404 HG13 HD22 ' B' ' 36' ' ' LEU . 1.2 t -70.6 -34.16 56.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.617 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.8 t80 -59.99 -42.29 93.89 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -85.65 -8.91 57.95 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.19 47.65 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.953 -1.092 . . . . 0.0 109.762 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -103.42 -37.96 7.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.299 -0.875 . . . . 0.0 110.85 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -56.33 -28.57 59.38 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.189 -0.944 . . . . 0.0 110.43 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 0.38 61.17 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -73.59 -31.13 63.41 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.547 -0.972 . . . . 0.0 109.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -95.27 -5.83 42.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 111.626 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 89.91 -11.83 69.36 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' B' ' 26' ' ' TYR . 98.5 m-20 -84.41 25.72 0.85 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' B' ' 23' ' ' GLY . 25.8 ttmt -43.1 -13.5 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.116 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.545 ' N ' ' O ' ' B' ' 24' ' ' ASP . 94.2 m-85 -89.87 -15.61 31.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.594 -1.316 . . . . 0.0 109.352 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -148.7 150.08 32.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.997 -1.064 . . . . 0.0 109.942 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.67 165.71 18.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.117 -0.989 . . . . 0.0 108.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -136.18 165.14 26.43 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.715 -1.241 . . . . 0.0 110.616 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -60.06 -40.13 88.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.459 -0.776 . . . . 0.0 111.38 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.457 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 11.1 tmtt? -77.45 -31.49 53.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.58 -1.325 . . . . 0.0 110.441 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.19 -50.0 73.56 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.616 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.28 -33.98 72.22 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.639 -0.663 . . . . 0.0 111.451 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.6 tttm -60.28 -37.23 79.82 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.824 -1.172 . . . . 0.0 109.202 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 39' ' ' THR . 70.1 m-20 -66.55 -40.07 88.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.133 -0.979 . . . . 0.0 110.13 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.404 HD22 HG13 ' B' ' 14' ' ' VAL . 64.3 mt -61.39 -40.22 93.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.193 -0.942 . . . . 0.0 110.573 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.7 mt -73.16 -40.31 64.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.911 -1.118 . . . . 0.0 110.331 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 28.1 mt-30 -70.29 -21.43 62.95 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.377 0.608 . . . . 0.0 109.621 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 35' ' ' ASP . 21.1 p -90.99 -52.84 4.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.284 -0.885 . . . . 0.0 112.7 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.7 mt-10 -109.98 -32.7 6.94 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.897 -1.127 . . . . 0.0 112.723 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 8' ' ' MET . 10.0 mp -111.35 26.48 10.63 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.982 -1.074 . . . . 0.0 109.907 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 37' ' ' LEU . 59.7 p -60.97 -39.92 91.39 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.131 -0.981 . . . . 0.0 111.22 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 95.2 p -67.16 -40.04 86.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.968 -1.082 . . . . 0.0 111.716 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.84 -69.02 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.625 -1.297 . . . . 0.0 109.907 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 47' ' ' VAL . 11.1 mp -80.7 98.59 7.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.403 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 82.1 m-20 -62.65 80.44 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.608 0.718 . . . . 0.0 110.144 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -93.39 -15.1 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.496 -0.753 . . . . 0.0 109.71 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -80.1 -69.15 0.61 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.715 -1.241 . . . . 0.0 112.369 -178.029 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.23 -50.7 70.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.109 -0.994 . . . . 0.0 110.468 -176.364 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -93.15 77.77 4.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.225 -1.547 . . . . 0.0 109.289 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.506 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.98 -20.84 26.07 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 64.4 t0 -70.07 -26.13 63.86 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.16 74.58 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -75.03 -30.42 23.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.885 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -70.7 -38.98 73.73 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.942 -1.099 . . . . 0.0 109.156 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' HZ2' ' B' ' 56' ' ' LYS . 9.9 mtmp? -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.068 0.937 . . . . 0.0 110.068 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.648 HG13 HD21 ' B' ' 77' ' ' LEU . 0.8 OUTLIER -64.88 -38.93 84.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.488 ' O ' ' N ' ' B' ' 62' ' ' ASP . 89.7 mmm -71.84 -30.02 65.02 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 109.726 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -55.77 -40.36 72.52 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.22 -34.7 78.69 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -81.65 -70.12 0.56 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.543 0.687 . . . . 0.0 110.705 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 58' ' ' MET . 91.7 m-20 -74.62 35.96 0.1 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.483 -0.76 . . . . 0.0 109.501 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 89.2 tt0 -55.09 -21.78 13.95 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.76 -4.46 59.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.414 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.51 63.04 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.8 p-10 -92.02 -3.58 55.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.172 -1.193 . . . . 0.0 109.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.65 9.57 0.29 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.7 mt-10 -135.44 157.12 47.68 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 121.317 -1.108 . . . . 0.0 108.181 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -125.92 157.46 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-O 121.936 0.874 . . . . 0.0 111.657 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.2 m-20 -91.71 20.0 5.93 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 22.8 t80 62.3 -40.88 0.16 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 122.233 -0.292 . . . . 0.0 111.255 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 0.0 OUTLIER -70.13 -29.96 67.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.376 -1.453 . . . . 0.0 109.299 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 32.5 mt-10 -68.32 -40.66 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.689 -1.257 . . . . 0.0 108.948 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.747 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.2 t80 -67.43 -43.25 81.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.779 -0.576 . . . . 0.0 112.542 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.506 HG11 HG21 ' A' ' 83' ' ' VAL . 4.0 p -60.07 -39.93 81.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 120.515 -1.366 . . . . 0.0 109.845 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t -69.67 -40.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.864 -1.147 . . . . 0.0 110.765 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.648 HD21 HG13 ' B' ' 57' ' ' ILE . 13.1 tp -62.46 -57.63 10.55 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.108 -0.995 . . . . 0.0 112.243 -177.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.747 HG21 ' CE2' ' B' ' 74' ' ' PHE . 3.1 m -74.78 -20.58 16.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.617 -0.677 . . . . 0.0 110.527 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.06 -53.04 22.51 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.07 76.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.053 -1.029 . . . . 0.0 111.218 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.65 -47.54 85.79 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.935 -1.103 . . . . 0.0 110.176 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.1 m -61.9 -40.1 94.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.399 -0.813 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 75' ' ' VAL . 46.7 t -60.17 -40.09 82.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.871 0.843 . . . . 0.0 109.622 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.67 87.06 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.411 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.36 -41.06 92.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.364 -0.835 . . . . 0.0 110.703 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.931 -1.106 . . . . 0.0 110.069 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.75 -40.07 91.1 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.58 -40.3 91.21 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -95.48 7.61 45.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.017 -1.052 . . . . 0.0 110.653 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -65.7 -34.48 78.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.934 -1.104 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.14 -40.8 91.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.987 -1.071 . . . . 0.0 110.093 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.42 -39.88 89.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.374 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.596 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.876 2.71 . . . . 0.0 119.876 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -105.48 19.82 19.93 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.201 -1.176 . . . . 0.0 108.924 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 53.4 mt-10 -60.01 -49.93 75.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 109.396 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.662 HD22 HD11 ' B' ' 41' ' ' LEU . 2.0 tt -71.94 -39.96 69.07 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.77 -39.96 95.8 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -62.54 -22.48 66.36 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.23 -37.19 80.56 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -80.97 -33.9 33.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.01 -1.056 . . . . 0.0 110.346 -179.24 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -71.13 -30.27 66.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 110.146 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.563 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 9.0 t -80.09 -51.69 8.71 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.12 -0.987 . . . . 0.0 111.499 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -62.82 -28.49 70.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.358 -1.464 . . . . 0.0 109.174 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.49 -34.43 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.543 -1.348 . . . . 0.0 110.206 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -70.45 -44.91 66.85 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.271 -0.893 . . . . 0.0 110.852 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 15' ' ' PHE . 29.5 m -69.41 -32.86 54.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 64.4 t80 -62.04 -39.87 93.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.757 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -88.91 -10.09 49.13 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.0 55.39 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -102.63 -27.89 12.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.513 -0.742 . . . . 0.0 111.246 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -60.82 -40.07 91.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.966 -1.084 . . . . 0.0 111.459 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.52 6.29 70.92 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.62 -29.79 63.78 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.224 -1.162 . . . . 0.0 108.461 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -92.79 -2.08 56.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.651 -0.656 . . . . 0.0 110.759 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.49 -7.55 78.59 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.02 38.28 0.95 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.397 -1.06 . . . . 0.0 108.533 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.62 -16.92 18.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.602 -0.686 . . . . 0.0 110.677 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -66.99 -19.48 65.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.618 -1.301 . . . . 0.0 109.206 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -163.19 169.82 18.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.218 -0.926 . . . . 0.0 109.733 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 33' ' ' LEU . 48.5 tp -78.87 161.41 26.76 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 m -132.38 163.25 29.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.91 -1.119 . . . . 0.0 109.922 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 3.7 tmtt? -59.53 -40.5 87.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.543 -0.723 . . . . 0.0 110.789 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.65 -31.42 61.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.951 -1.093 . . . . 0.0 110.168 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.79 -44.95 79.94 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.492 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 pp -69.97 -30.02 67.28 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.025 -1.047 . . . . 0.0 109.627 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 48.3 tptt -59.79 -40.13 87.24 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.638 -0.664 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 39' ' ' THR . 94.2 m-20 -68.91 -40.05 79.32 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.733 -0.605 . . . . 0.0 111.669 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.8 -40.51 83.87 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.222 -0.924 . . . . 0.0 111.869 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.93 -43.29 55.02 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.604 -1.31 . . . . 0.0 110.746 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -68.95 -25.17 64.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.359 -0.838 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.9 p -73.02 -55.92 5.84 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 121.021 -1.049 . . . . 0.0 111.348 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.3 mt-10 -113.55 -24.62 9.15 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.991 -1.068 . . . . 0.0 113.259 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.671 HD11 HD22 ' B' ' 4' ' ' LEU . 6.6 mp -110.88 21.62 16.27 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.688 -1.258 . . . . 0.0 111.329 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -59.25 -49.37 78.1 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.713 -1.242 . . . . 0.0 110.761 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -61.79 -40.23 94.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.147 -0.971 . . . . 0.0 111.661 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -79.86 -69.97 0.55 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.682 -1.261 . . . . 0.0 109.998 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 47' ' ' VAL . 9.8 mp -81.54 96.58 7.49 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.11 138.81 54.02 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 118.561 -1.256 . . . . 0.0 107.628 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -161.7 -52.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.026 -1.046 . . . . 0.0 110.441 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' H ' HG13 ' A' ' 47' ' ' VAL . 9.9 pt20 -60.04 -42.95 95.53 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.663 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -72.98 -39.44 66.11 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.899 -1.125 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -101.46 79.29 1.95 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.133 -0.979 . . . . 0.0 109.483 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -57.14 -22.2 38.25 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 108.467 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 18.5 p-10 -72.8 -25.68 61.24 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.51 78.6 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.901 -0.499 . . . . 0.0 109.749 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.8 p -76.72 -30.06 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.558 -1.257 . . . . 0.0 109.266 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -65.35 -40.15 93.27 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 109.176 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -70.08 -40.06 75.23 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.221 1.01 . . . . 0.0 110.64 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.93 84.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.636 -178.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.3 ptm -81.79 -26.98 33.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.16 -0.962 . . . . 0.0 110.442 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.17 -42.29 85.71 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.045 -1.034 . . . . 0.0 109.484 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.16 -39.93 91.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.3 mp -83.62 -69.63 0.62 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.428 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.3 m-20 -67.68 39.29 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.199 -0.938 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 61' ' ' LEU . 17.6 pt-20 -58.14 -8.58 1.12 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 62' ' ' ASP . 23.9 m120 -86.75 -3.08 59.01 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.26 0.552 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.39 28.63 73.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 68' ' ' GLU . 50.2 p-10 -88.8 -2.61 58.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.993 . . . . 0.0 109.791 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.43 6.3 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.2 mt-10 -131.98 125.75 32.31 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.184 -1.186 . . . . 0.0 108.766 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.94 142.93 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.855 . . . . 0.0 109.138 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 65.5 t0 -62.13 -48.22 81.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.789 -1.194 . . . . 0.0 110.879 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER 146.06 -60.81 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.27 -35.09 74.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -42.52 95.8 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 109.1 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -66.76 -49.47 65.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.38 -0.825 . . . . 0.0 113.118 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -60.22 -39.82 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.027 -1.045 . . . . 0.0 112.039 -176.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.65 -40.71 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.485 -1.384 . . . . 0.0 110.982 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.15 -52.94 62.74 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.085 -1.009 . . . . 0.0 111.942 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.98 -20.36 14.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.434 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -69.56 -55.46 10.08 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.147 -0.971 . . . . 0.0 110.78 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.01 82.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.056 -1.028 . . . . 0.0 111.207 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.19 -41.23 99.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.14 -40.49 94.05 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.246 -0.909 . . . . 0.0 109.121 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.84 -40.48 82.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.616 0.722 . . . . 0.0 109.759 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.04 86.54 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.566 -0.709 . . . . 0.0 110.255 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.7 -39.48 84.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.047 . . . . 0.0 109.152 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.86 -39.62 85.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.774 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.65 -36.49 83.01 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.213 -0.929 . . . . 0.0 109.435 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.91 -40.61 89.4 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 0.0 110.301 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.19 -28.96 65.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.888 -1.133 . . . . 0.0 108.886 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.74 -42.66 97.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.462 -0.774 . . . . 0.0 109.669 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.024 -1.048 . . . . 0.0 109.079 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.05 -39.76 87.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.3 -0.875 . . . . 0.0 108.927 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.435 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.494 2.558 . . . . 0.0 119.494 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.4 ' O ' ' N ' ' B' ' 6' ' ' THR . 50.7 m -105.38 19.93 19.74 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.083 -1.246 . . . . 0.0 109.173 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 45.8 mt-10 -60.16 -49.71 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.788 . . . . 0.0 109.301 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 41' ' ' LEU . 2.0 tt -71.86 -39.99 69.29 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.65 -40.19 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 2' ' ' SER . 22.0 m -62.45 -22.65 66.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.17 -37.06 80.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -81.13 -33.21 33.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.881 -1.137 . . . . 0.0 110.437 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' B' ' 9' ' ' GLU . 0.2 OUTLIER -71.77 -30.68 65.82 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.081 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' B' ' 11' ' ' LEU . 8.9 t -80.0 -51.91 8.47 Favored 'General case' 0 C--O 1.202 -1.411 0 O-C-N 121.17 -0.956 . . . . 0.0 111.568 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' B' ' 10' ' ' THR . 2.1 pp -62.43 -28.26 69.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.274 -1.517 . . . . 0.0 109.118 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.97 -33.56 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.584 -1.323 . . . . 0.0 110.238 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -71.26 -44.47 65.2 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.095 -1.003 . . . . 0.0 110.796 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 29.7 m -69.5 -32.44 52.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CZ ' ' CD1' ' B' ' 71' ' ' PHE . 65.8 t80 -62.1 -40.05 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.895 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -89.4 -9.21 51.14 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.49 -39.95 51.67 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.443 -0.786 . . . . 0.0 109.183 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -102.82 -27.78 12.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.431 -0.793 . . . . 0.0 111.372 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -60.21 -40.17 89.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.134 -0.979 . . . . 0.0 111.366 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.78 6.22 69.95 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -72.63 -29.72 63.71 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.434 -1.039 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.87 -2.09 56.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.696 -0.627 . . . . 0.0 110.723 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.34 -7.72 77.46 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -90.72 38.34 0.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.413 -1.051 . . . . 0.0 108.407 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.08 -16.22 18.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.566 -0.709 . . . . 0.0 110.591 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.53 -19.34 65.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.73 -1.231 . . . . 0.0 109.031 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -163.45 169.78 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.204 -0.935 . . . . 0.0 109.761 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 33' ' ' LEU . 47.9 tp -78.92 161.41 26.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.9 m -131.74 164.11 26.71 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.105 -0.997 . . . . 0.0 109.965 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' B' ' 30' ' ' LYS . 3.5 tmtt? -59.92 -40.79 90.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.606 -0.684 . . . . 0.0 110.576 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -74.8 -31.78 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.888 -1.133 . . . . 0.0 110.349 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.54 -45.13 80.45 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.514 -0.741 . . . . 0.0 111.41 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.82 -30.01 67.42 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.91 -1.119 . . . . 0.0 109.713 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 50.4 tptt -59.95 -39.74 86.63 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.584 ' O ' HG23 ' B' ' 39' ' ' THR . 94.3 m-20 -69.21 -39.68 78.44 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.737 -0.602 . . . . 0.0 111.841 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.25 -40.01 82.1 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.264 -0.898 . . . . 0.0 111.883 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -75.52 -43.31 49.61 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.688 -1.257 . . . . 0.0 110.628 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -68.77 -25.01 64.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.311 -0.868 . . . . 0.0 109.542 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -72.96 -56.52 5.04 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.377 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.2 mt-10 -113.04 -24.86 9.24 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.016 -1.053 . . . . 0.0 113.316 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 4' ' ' LEU . 6.6 mp -110.68 22.3 15.56 Favored 'General case' 0 N--CA 1.516 2.835 0 O-C-N 120.567 -1.333 . . . . 0.0 111.167 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.3 p -59.94 -49.34 78.07 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.682 -1.261 . . . . 0.0 110.777 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -61.47 -40.13 93.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.014 -1.053 . . . . 0.0 111.663 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.02 -69.9 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 109.931 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.4 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.0 mp -81.85 96.8 7.74 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.33 138.74 54.5 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 118.551 -1.26 . . . . 0.0 107.722 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.549 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.6 p -161.5 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.012 -1.055 . . . . 0.0 110.403 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.549 ' H ' HG13 ' B' ' 47' ' ' VAL . 10.0 pt20 -60.25 -42.85 96.2 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.683 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -73.23 -39.09 65.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.913 -1.117 . . . . 0.0 109.605 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -101.91 79.76 1.94 Allowed 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.16 0.981 . . . . 0.0 109.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -57.57 -22.74 46.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 18.5 p-10 -72.01 -26.01 62.05 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.08 83.02 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.5 p -75.59 -30.18 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.166 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.21 -40.0 93.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.839 -1.163 . . . . 0.0 109.288 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.7 -39.83 73.22 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.164 0.983 . . . . 0.0 110.385 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -40.0 84.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.42 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.559 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.3 ptm -81.76 -27.19 33.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.81 -42.92 85.25 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.966 -1.084 . . . . 0.0 109.561 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.1 mp -84.0 -69.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.521 -0.737 . . . . 0.0 109.44 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -67.85 39.38 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.134 -0.979 . . . . 0.0 109.408 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.6 pt-20 -57.99 -8.83 1.12 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 62' ' ' ASP . 23.2 m120 -86.45 -3.12 58.95 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.866 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.94 27.5 73.42 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.7 p-10 -88.24 -3.01 58.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.512 -0.993 . . . . 0.0 109.961 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.49 6.39 0.18 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 66' ' ' ASP . 93.0 mt-10 -131.61 125.42 32.18 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.249 -1.147 . . . . 0.0 108.74 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.2 t -93.9 142.71 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.427 -0.796 . . . . 0.0 109.036 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 65.5 t0 -61.96 -48.27 81.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.801 -1.187 . . . . 0.0 110.926 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' CZ ' ' B' ' 15' ' ' PHE . 0.9 OUTLIER 146.01 -61.08 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.86 -35.16 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -60.19 -42.67 95.55 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.2 -179.356 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.48 -49.9 65.08 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.0 p -60.19 -40.13 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.08 -1.013 . . . . 0.0 111.806 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -41.62 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.837 -1.165 . . . . 0.0 110.875 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.21 -52.42 64.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.172 -0.955 . . . . 0.0 112.191 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.32 -20.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.443 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -69.68 -55.39 10.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 110.766 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.96 81.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.959 -1.088 . . . . 0.0 111.275 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.58 -42.0 99.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.901 -1.124 . . . . 0.0 109.132 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -61.16 -40.17 92.86 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.351 -0.843 . . . . 0.0 109.22 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.9 t -60.16 -40.12 82.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.95 86.18 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.62 -0.675 . . . . 0.0 110.496 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.83 -39.9 86.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.981 -1.075 . . . . 0.0 109.083 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.64 -39.71 85.26 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.24 -36.99 83.7 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.0 109.497 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -59.8 -40.04 87.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.162 -0.962 . . . . 0.0 110.435 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -70.65 -29.17 65.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.8 -1.187 . . . . 0.0 108.654 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.373 -0.829 . . . . 0.0 109.709 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.04 -39.99 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.32 -39.69 87.91 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 108.928 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.632 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.575 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.46 2.544 . . . . 0.0 119.46 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.0 p -72.75 24.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.162 -1.199 . . . . 0.0 108.954 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 1' ' ' GLY . 53.2 mt-10 -60.17 -48.46 81.64 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' B' ' 41' ' ' LEU . 51.2 tp -69.91 -40.0 75.83 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.94 -39.72 87.36 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 2' ' ' SER . 16.8 m -63.75 -22.22 66.8 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.42 -38.64 81.41 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 110.186 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -81.03 -30.83 34.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.017 -1.052 . . . . 0.0 110.413 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.82 -30.39 62.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.287 -0.883 . . . . 0.0 110.212 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.7 t -79.47 -50.81 10.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.391 -0.818 . . . . 0.0 111.61 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -60.35 -30.67 69.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.366 -1.459 . . . . 0.0 110.552 -178.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -73.4 -27.88 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 119.914 -1.742 . . . . 0.0 110.336 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.69 -46.52 30.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.335 -0.853 . . . . 0.0 110.575 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -66.13 -32.92 60.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.0 t80 -60.05 -43.94 95.04 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.036 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -87.56 -4.19 58.97 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.8 -40.01 25.72 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.302 -0.874 . . . . 0.0 109.416 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -104.12 -23.35 13.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.676 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 66.3 m -68.19 -26.09 65.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.605 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 2.71 59.63 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -71.05 -34.11 70.92 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -94.19 -5.7 46.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.556 -0.715 . . . . 0.0 110.814 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.01 75.24 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -87.56 42.83 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -1.124 . . . . 0.0 108.269 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -61.17 -7.85 3.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.882 -0.511 . . . . 0.0 111.341 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -85.04 -13.02 51.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.637 -1.29 . . . . 0.0 109.424 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -160.09 160.33 32.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.329 -0.857 . . . . 0.0 109.088 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -84.59 164.84 18.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.001 -1.062 . . . . 0.0 108.419 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -135.17 168.56 18.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.861 -1.15 . . . . 0.0 109.82 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.68 -41.58 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.259 -0.901 . . . . 0.0 112.233 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.0 -31.62 44.85 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.576 -1.328 . . . . 0.0 110.777 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 95.9 mt-10 -61.14 -45.91 92.72 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.378 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -69.95 -31.51 69.28 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.198 -0.939 . . . . 0.0 110.762 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -61.35 -40.06 92.87 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.047 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 39' ' ' THR . 2.9 p30 -66.55 -39.7 88.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.882 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 88.8 mt -60.61 -41.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.353 -0.842 . . . . 0.0 111.679 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.36 -42.62 35.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.67 -1.269 . . . . 0.0 111.538 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' A' ' 42' ' ' SER . 13.5 pt20 -72.1 -22.06 61.4 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.836 0.827 . . . . 0.0 109.206 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -70.08 -57.31 5.12 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 120.911 -1.118 . . . . 0.0 109.685 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 41' ' ' LEU . 15.2 mm-40 -113.05 -20.24 11.58 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.073 -1.017 . . . . 0.0 113.171 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 ' HG ' ' B' ' 4' ' ' LEU . 6.5 mp -111.3 28.7 8.48 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 120.481 -1.387 . . . . 0.0 111.399 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 53.5 m -60.02 -40.94 91.03 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.856 -1.153 . . . . 0.0 111.425 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -70.87 -41.29 71.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.872 -1.143 . . . . 0.0 112.131 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -80.0 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.755 -1.216 . . . . 0.0 110.529 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 47' ' ' VAL . 10.9 mp -83.43 94.38 7.98 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.1 129.3 40.65 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.234 -1.386 . . . . 0.0 107.964 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -144.08 -76.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.469 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.699 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.2 pt20 -43.27 -35.84 1.6 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.709 -0.62 . . . . 0.0 110.474 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -73.13 -44.62 59.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.617 -1.302 . . . . 0.0 108.387 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 1.6 p30 -104.36 88.3 2.94 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.024 0.916 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.35 -19.24 54.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.92 -22.43 45.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.732 -1.23 . . . . 0.0 108.365 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.61 80.13 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.6 p -70.53 -30.77 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.467 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.62 -40.09 92.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.084 -1.01 . . . . 0.0 108.795 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.51 -39.97 77.25 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-N 115.069 -0.968 . . . . 0.0 113.393 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -76.42 -29.29 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttp -74.46 -31.63 62.3 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -49.98 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.25 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.74 -39.19 93.34 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.902 0.858 . . . . 0.0 108.713 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 74' ' ' PHE . 4.1 mp -68.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.671 0.748 . . . . 0.0 109.451 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' HG22 ' A' ' 69' ' ' VAL . 97.3 m-20 -83.4 42.78 0.84 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -49.32 -19.45 0.5 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 62' ' ' ASP . 65.1 t30 -78.63 -9.15 59.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.722 -0.611 . . . . 0.0 109.942 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.4 32.74 71.97 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 68' ' ' GLU . 51.3 p-10 -90.02 -0.09 57.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.189 -1.183 . . . . 0.0 110.586 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.96 4.42 1.0 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 66' ' ' ASP . 60.5 mm-40 -129.43 146.8 51.23 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 ' OD1' ' A' ' 62' ' ' ASP . 40.5 t -119.02 138.98 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 CA-C-O 121.45 0.643 . . . . 0.0 110.353 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 72' ' ' GLN . 9.3 t70 -78.24 14.98 1.03 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 68.4 t80 62.42 -39.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.989 -0.444 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.6 mt-30 -66.38 -39.94 89.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 108.105 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -60.65 -39.96 90.26 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.206 1.003 . . . . 0.0 108.619 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' A' ' 78' ' ' VAL . 84.1 t80 -60.08 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.331 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 54.1 t -60.01 -39.72 81.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 111.178 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.95 -42.89 98.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 O-C-N 119.874 -1.766 . . . . 0.0 111.736 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.68 -58.31 3.36 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.829 -1.169 . . . . 0.0 112.575 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.1 m -72.24 -28.09 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.608 -1.307 . . . . 0.0 112.782 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -71.78 -48.25 47.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.54 -1.35 . . . . 0.0 109.416 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.61 90.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.941 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -48.44 81.69 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.112 -0.993 . . . . 0.0 110.473 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.991 -1.068 . . . . 0.0 110.31 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.0 -43.79 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.399 -0.813 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.44 82.67 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.06 -39.91 87.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.99 -1.069 . . . . 0.0 109.76 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 110.191 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.11 -36.76 82.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.009 -1.057 . . . . 0.0 109.704 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -85.0 -19.84 31.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 110.409 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -66.77 -41.08 88.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.976 -1.078 . . . . 0.0 109.743 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -70.4 -24.84 63.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.079 -1.013 . . . . 0.0 109.9 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 93' ' ' SER . 13.1 t-20 -59.92 -40.05 87.54 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.341 -0.85 . . . . 0.0 108.943 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.573 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.439 2.536 . . . . 0.0 119.439 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.9 p -72.78 24.35 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.129 -1.219 . . . . 0.0 109.064 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.573 ' H ' ' C ' ' B' ' 1' ' ' GLY . 57.3 mt-10 -60.09 -48.86 79.96 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 51.6 tp -69.64 -40.0 76.78 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.95 -39.54 87.29 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 10' ' ' THR . 17.5 m -63.84 -22.39 66.89 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.09 -38.91 82.87 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.653 0.739 . . . . 0.0 110.233 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -81.09 -30.65 34.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.021 -1.049 . . . . 0.0 110.475 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.01 -30.46 62.47 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 110.195 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.0 t -79.24 -51.26 9.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.381 -0.824 . . . . 0.0 111.691 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.567 ' N ' HG23 ' B' ' 10' ' ' THR . 0.7 OUTLIER -60.26 -30.39 69.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.373 -1.454 . . . . 0.0 110.604 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 pt -73.7 -27.49 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 119.9 -1.75 . . . . 0.0 110.447 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -76.37 -46.03 29.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.092 -1.005 . . . . 0.0 110.586 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.2 m -65.97 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 7.9 t80 -60.11 -44.03 95.17 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.927 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -87.77 -3.28 58.96 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.03 -39.42 23.54 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.332 -0.855 . . . . 0.0 109.431 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -104.32 -23.46 13.21 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.395 -0.815 . . . . 0.0 110.557 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -68.22 -26.2 65.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.544 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.1 2.75 59.85 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -71.08 -34.15 70.89 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.612 -0.934 . . . . 0.0 108.52 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -94.15 -5.78 46.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.617 -0.677 . . . . 0.0 110.774 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.03 75.27 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.42 42.83 1.06 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.374 -1.074 . . . . 0.0 108.263 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -61.06 -8.25 3.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.297 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -84.66 -13.39 51.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.672 -1.268 . . . . 0.0 109.475 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' B' ' 68' ' ' GLU . 11.9 ttpp -160.11 159.99 32.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.93 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.0 tp -84.24 164.88 18.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.064 -1.023 . . . . 0.0 108.587 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -134.38 169.3 17.44 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.917 -1.115 . . . . 0.0 110.037 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -60.03 -41.91 93.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 112.132 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.18 -31.62 43.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.686 -1.259 . . . . 0.0 110.755 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 95.6 mt-10 -61.41 -45.56 93.82 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.367 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.568 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.98 -31.65 69.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.294 -0.879 . . . . 0.0 110.787 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -61.33 -40.0 92.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.998 -1.064 . . . . 0.0 110.072 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 2.9 p30 -67.3 -37.85 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.0 110.08 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 90.3 mt -62.28 -40.6 96.79 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 111.531 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.23 -43.32 33.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.749 -1.219 . . . . 0.0 111.446 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' B' ' 42' ' ' SER . 13.5 pt20 -71.65 -22.28 61.7 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.817 0.818 . . . . 0.0 109.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.3 p -69.7 -57.51 5.05 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 120.768 -1.208 . . . . 0.0 109.72 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' B' ' 41' ' ' LEU . 16.0 mm-40 -112.96 -20.44 11.55 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.047 -1.033 . . . . 0.0 113.176 -178.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.5 mp -111.22 28.65 8.52 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 120.498 -1.376 . . . . 0.0 111.399 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 53.7 m -59.98 -41.06 91.18 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.845 -1.16 . . . . 0.0 111.293 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.5 m -70.42 -41.54 72.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.883 -1.136 . . . . 0.0 112.186 -177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -80.02 -69.93 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.727 -1.233 . . . . 0.0 110.544 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.8 mp -83.59 94.85 8.17 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.27 129.37 40.95 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 118.206 -1.398 . . . . 0.0 107.901 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.684 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -144.18 -76.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.174 -0.954 . . . . 0.0 109.54 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.684 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.7 pt20 -43.56 -35.79 1.84 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.494 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -72.96 -44.62 60.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.737 -1.227 . . . . 0.0 108.509 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 1.5 p30 -104.24 87.86 2.85 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.011 0.91 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.451 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.97 -20.09 55.68 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.258 -0.901 . . . . 0.0 109.154 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -77.96 -23.27 48.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.784 -1.198 . . . . 0.0 108.479 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.01 84.09 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.451 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.9 p -70.44 -30.41 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.158 -0.964 . . . . 0.0 109.569 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.01 -39.9 90.64 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.035 -1.041 . . . . 0.0 108.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.67 -40.09 76.62 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.225 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.414 ' O ' HD13 ' B' ' 61' ' ' LEU . 2.7 pt -76.59 -28.8 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.588 -1.32 . . . . 0.0 109.063 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttp -74.45 -31.69 62.34 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.51 -39.38 93.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 57' ' ' ILE . 3.7 mp -68.92 -60.0 2.67 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.709 0.766 . . . . 0.0 109.4 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.485 ' OD1' HG22 ' B' ' 69' ' ' VAL . 97.4 m-20 -83.71 43.0 0.88 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -49.54 -19.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.475 ' N ' ' C ' ' B' ' 62' ' ' ASP . 65.1 t30 -79.27 -8.88 59.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.715 -0.615 . . . . 0.0 109.747 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.03 33.0 73.55 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.9 p-10 -90.0 0.0 57.34 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.143 -1.21 . . . . 0.0 110.627 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 4.91 0.99 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 66' ' ' ASP . 60.1 mm-40 -129.49 147.01 51.26 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.517 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.2 t -119.09 139.16 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-O 121.508 0.671 . . . . 0.0 110.337 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' B' ' 72' ' ' GLN . 9.3 t70 -78.42 15.04 1.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.363 -0.835 . . . . 0.0 110.111 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 68.1 t80 62.45 -39.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 122.015 -0.428 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.6 mt-30 -65.93 -39.91 90.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.493 -1.38 . . . . 0.0 108.186 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.74 -39.98 90.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.166 0.984 . . . . 0.0 108.591 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.717 ' O ' HG22 ' B' ' 78' ' ' VAL . 84.6 t80 -60.13 -48.66 80.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.315 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 54.4 t -60.01 -40.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 O-C-N 121.006 -1.059 . . . . 0.0 111.035 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.51 -43.07 98.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 O-C-N 120.198 -1.564 . . . . 0.0 111.683 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.9 -58.41 3.3 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.827 -1.17 . . . . 0.0 112.675 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.717 HG22 ' O ' ' B' ' 74' ' ' PHE . 8.4 m -72.19 -27.87 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.637 -1.289 . . . . 0.0 112.818 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -71.92 -48.19 47.16 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.575 -1.328 . . . . 0.0 109.385 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.294 -0.879 . . . . 0.0 109.975 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -48.51 81.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.153 -0.967 . . . . 0.0 110.328 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -39.98 87.71 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.423 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -43.89 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 110.211 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.4 82.76 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.517 -0.74 . . . . 0.0 110.339 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.119 -0.988 . . . . 0.0 109.795 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -40.09 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.171 -0.955 . . . . 0.0 110.243 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -67.13 -36.59 82.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.98 -1.075 . . . . 0.0 109.712 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.496 -0.752 . . . . 0.0 110.074 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -85.05 -19.83 31.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.881 -1.137 . . . . 0.0 110.411 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -66.72 -40.92 88.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.09 . . . . 0.0 109.867 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -70.64 -24.67 62.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.058 -1.026 . . . . 0.0 109.861 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' B' ' 93' ' ' SER . 13.1 t-20 -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.946 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.081 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.727 2.651 . . . . 0.0 119.727 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 6' ' ' THR . 69.1 p -105.61 18.64 21.86 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.316 -1.108 . . . . 0.0 109.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 2.7 mm-40 -59.95 -47.55 85.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.164 -0.96 . . . . 0.0 108.689 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.59 -42.79 61.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.04 -40.08 94.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' SER . 17.7 m -67.27 -21.92 65.69 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.643 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.15 -40.08 78.43 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.315 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.4 mmm -80.57 -32.92 36.46 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 110.482 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -71.17 -33.92 70.45 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.691 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 6.1 t -77.58 -45.75 24.3 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 112.415 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 10' ' ' THR . 1.7 pp -66.13 -25.65 67.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.089 -1.632 . . . . 0.0 110.344 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 pt -78.53 -31.23 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.292 -1.505 . . . . 0.0 110.206 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.24 -41.25 67.04 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.34 -35.35 57.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' A' ' 19' ' ' SER . 42.7 t80 -59.98 -40.08 87.9 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.97 -10.87 52.17 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -39.98 63.19 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.432 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -101.84 -34.76 9.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.512 -0.743 . . . . 0.0 111.149 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 56.8 m -59.97 -39.47 85.76 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.161 -0.962 . . . . 0.0 110.741 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.9 9.45 75.4 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.11 -29.08 25.13 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.527 -0.984 . . . . 0.0 109.944 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.62 -6.95 35.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.932 . . . . 0.0 111.301 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.41 52.96 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 106.889 -2.484 . . . . 0.0 106.889 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.8 t0 49.67 43.25 24.29 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.843 -1.387 . . . . 0.0 108.236 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -80.61 11.42 3.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.762 -0.586 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -56.8 -16.88 7.4 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -166.98 172.45 10.19 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.391 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 33' ' ' LEU . 32.7 tp -77.64 167.36 21.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.925 . . . . 0.0 108.614 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.545 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 5.2 p -134.33 165.01 26.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.974 -1.079 . . . . 0.0 110.021 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.94 -39.94 83.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.769 -0.582 . . . . 0.0 111.89 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -28.51 45.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.497 -1.377 . . . . 0.0 110.413 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 29' ' ' SER . 60.1 mt-10 -64.45 -50.09 68.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 110.534 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -67.54 -35.45 79.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.835 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' N ' HD12 ' A' ' 33' ' ' LEU . 60.3 tttm -60.42 -39.97 89.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.157 -0.964 . . . . 0.0 109.837 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' THR . 85.2 m-20 -64.97 -40.03 94.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.571 -0.706 . . . . 0.0 110.792 -179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.86 -39.98 94.41 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.247 -0.908 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.92 -44.16 56.03 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.827 -1.171 . . . . 0.0 111.423 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.05 -21.75 63.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.329 -0.857 . . . . 0.0 109.601 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.1 p -77.75 -55.48 5.3 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 121.043 -1.035 . . . . 0.0 110.893 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.6 mt-10 -111.74 -28.0 8.28 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.193 -0.942 . . . . 0.0 112.775 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.5 mp -109.59 26.61 10.44 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 120.739 -1.225 . . . . 0.0 110.772 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 p -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.785 -1.197 . . . . 0.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 t -68.38 -40.01 81.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.102 -0.999 . . . . 0.0 111.164 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.52 -70.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.874 -1.141 . . . . 0.0 110.942 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -85.0 96.53 9.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 34.4 p-10 -59.81 94.52 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.229 -0.919 . . . . 0.0 109.634 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.38 -24.96 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.473 -0.767 . . . . 0.0 109.924 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -78.52 -62.41 1.7 Allowed 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.059 -1.025 . . . . 0.0 111.718 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -59.92 -42.54 94.17 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.207 -0.933 . . . . 0.0 110.682 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 81.8 m-20 -100.61 74.13 1.66 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.476 -1.39 . . . . 0.0 109.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -54.05 -18.67 3.84 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.922 -1.111 . . . . 0.0 108.171 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 17.2 p-10 -76.57 -21.46 55.62 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -66.19 -35.38 80.29 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -77.97 -26.18 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.785 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -69.9 -40.0 75.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.806 -1.183 . . . . 0.0 108.515 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -69.9 -39.94 75.92 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.104 0.954 . . . . 0.0 110.092 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.35 -40.07 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.561 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.0 ptm -77.2 -27.03 53.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.836 -1.165 . . . . 0.0 109.679 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.14 -44.96 92.08 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.653 -0.655 . . . . 0.0 109.59 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.32 -39.9 94.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 108.279 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.5 mp -71.34 -61.14 1.88 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.798 0.808 . . . . 0.0 109.341 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' A' ' 64' ' ' ASN . 86.5 m-20 -82.79 40.97 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.4 -16.44 0.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 57.3 t30 -85.89 -6.71 59.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.773 -0.58 . . . . 0.0 110.015 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.04 31.72 69.51 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 56.9 p30 -89.09 -2.08 58.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -1.219 . . . . 0.0 110.138 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.26 4.73 1.97 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.1 mt-10 -133.04 132.96 42.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -100.77 146.84 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 121.837 0.827 . . . . 0.0 111.409 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.9 t0 -86.6 26.14 1.14 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 26.1 p90 53.36 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -60.06 -39.53 86.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 119.995 -1.691 . . . . 0.0 108.594 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.98 -40.03 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.057 -1.027 . . . . 0.0 108.844 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 78' ' ' VAL . 65.3 t80 -61.57 -47.4 85.67 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -40.02 81.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.931 -1.106 . . . . 0.0 111.565 -176.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.16 -40.03 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.391 -1.443 . . . . 0.0 111.771 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.45 -57.26 6.11 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.69 -1.257 . . . . 0.0 111.589 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.4 m -70.97 -23.58 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.679 -1.263 . . . . 0.0 111.758 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.17 -45.75 66.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 109.585 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.94 86.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.4 -47.81 66.32 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.714 -1.242 . . . . 0.0 110.834 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.3 m -63.01 -40.53 98.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.917 -1.114 . . . . 0.0 110.755 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.0 t -61.6 -44.54 98.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.445 -0.784 . . . . 0.0 109.514 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.93 87.68 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.678 -0.639 . . . . 0.0 110.973 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.5 m -59.91 -39.95 87.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.117 -0.989 . . . . 0.0 109.738 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 110.447 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -66.18 -40.06 90.17 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.915 -1.116 . . . . 0.0 109.722 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -60.02 -39.99 87.72 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.614 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -80.01 -19.04 48.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.076 -1.015 . . . . 0.0 109.444 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -68.22 -44.42 75.78 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.159 -0.963 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.93 -37.64 75.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.651 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.69 -14.51 60.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.0 109.935 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.538 -179.607 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.534 2.574 . . . . 0.0 119.534 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' THR . 67.9 p -105.62 18.62 21.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.341 -1.094 . . . . 0.0 109.712 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 2.8 mm-40 -59.98 -47.38 86.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 108.526 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.47 -42.95 61.27 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.2 m -67.1 -21.8 65.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.691 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.1 -40.08 78.6 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.234 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -80.59 -32.96 36.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.032 -1.042 . . . . 0.0 110.457 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.23 -34.13 70.49 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.452 -0.78 . . . . 0.0 110.308 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.643 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 6.0 t -77.35 -46.18 23.69 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 112.38 -177.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' HG23 ' B' ' 10' ' ' THR . 1.8 pp -65.78 -25.45 67.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.044 -1.66 . . . . 0.0 110.349 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 pt -79.06 -30.52 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.264 -1.522 . . . . 0.0 110.311 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -73.14 -40.75 64.64 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.157 -0.965 . . . . 0.0 109.597 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.36 -35.37 57.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -86.97 -10.77 52.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.0 -40.0 63.24 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -102.0 -34.49 9.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.527 -0.733 . . . . 0.0 111.165 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.1 m -60.05 -39.81 87.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 0.0 110.632 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.77 9.69 75.17 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -85.48 -28.59 24.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.952 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.85 -6.67 35.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.192 -0.943 . . . . 0.0 111.291 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.04 -173.62 53.45 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 106.938 -2.465 . . . . 0.0 106.938 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.89 43.2 25.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.843 -1.387 . . . . 0.0 108.161 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 11.43 3.71 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.822 -0.549 . . . . 0.0 110.893 -178.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -56.57 -17.67 9.27 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -166.67 171.88 11.15 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' B' ' 33' ' ' LEU . 31.8 tp -77.02 166.93 22.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.215 -0.928 . . . . 0.0 108.689 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.544 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 4.9 p -132.85 166.22 22.79 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.094 -1.004 . . . . 0.0 109.869 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -60.0 -39.95 87.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 111.809 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -28.48 44.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.532 -1.355 . . . . 0.0 110.482 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 29' ' ' SER . 59.9 mt-10 -64.46 -50.22 68.37 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.53 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -67.46 -35.59 79.48 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.746 . . . . 0.0 110.772 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' B' ' 33' ' ' LEU . 59.6 tttm -60.14 -40.02 88.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.096 -1.003 . . . . 0.0 109.945 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.546 ' O ' HG23 ' B' ' 39' ' ' THR . 86.3 m-20 -64.76 -40.02 94.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.561 -0.712 . . . . 0.0 111.109 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.21 -40.01 93.56 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.268 -0.895 . . . . 0.0 110.879 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 mt -73.73 -44.16 57.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.745 -1.222 . . . . 0.0 111.499 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.06 -21.7 63.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.267 -0.895 . . . . 0.0 109.608 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.546 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.2 p -77.77 -55.37 5.39 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 120.993 -1.067 . . . . 0.0 110.964 -178.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.9 mt-10 -111.75 -28.16 8.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.142 -0.973 . . . . 0.0 112.717 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.453 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.7 mp -109.54 26.37 10.72 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 120.699 -1.251 . . . . 0.0 110.744 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 p -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.86 -1.15 . . . . 0.0 110.678 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -68.2 -40.02 82.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.053 -1.029 . . . . 0.0 111.164 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.65 -70.25 0.52 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.917 -1.114 . . . . 0.0 110.899 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.9 96.49 9.36 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 34.3 p-10 -59.89 94.18 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.307 -0.871 . . . . 0.0 109.689 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.09 -25.0 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.425 -0.797 . . . . 0.0 109.953 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.43 -62.31 1.73 Allowed 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 111.671 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.11 -42.21 94.22 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 110.735 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.2 m-20 -100.76 73.74 1.61 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.593 -1.317 . . . . 0.0 109.611 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.549 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -53.73 -18.81 3.43 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.842 -1.161 . . . . 0.0 108.133 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 17.1 p-10 -76.42 -21.77 55.53 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.54 -36.35 83.55 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.549 HG12 ' O ' ' B' ' 51' ' ' ALA . 4.7 p -77.51 -26.11 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -69.86 -40.02 76.0 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.849 -1.157 . . . . 0.0 108.495 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -69.78 -40.12 76.23 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.033 0.92 . . . . 0.0 110.095 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.407 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.11 -40.01 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 26.5 ptm -77.21 -27.09 53.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.812 -1.18 . . . . 0.0 109.695 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -58.77 -45.28 90.16 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.657 -0.652 . . . . 0.0 109.453 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.13 -39.97 95.17 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.041 -1.037 . . . . 0.0 108.322 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.2 mp -71.49 -61.04 1.92 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.758 0.79 . . . . 0.0 109.346 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.46 ' C ' ' N ' ' B' ' 64' ' ' ASN . 87.5 m-20 -82.79 40.9 0.7 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.55 -16.13 0.2 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.46 ' N ' ' C ' ' B' ' 62' ' ' ASP . 57.0 t30 -86.09 -6.96 58.92 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.658 -0.651 . . . . 0.0 109.926 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.24 32.02 68.85 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' B' ' 68' ' ' GLU . 57.4 p-10 -89.33 -1.96 58.26 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.192 -1.181 . . . . 0.0 110.186 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.13 4.76 1.89 Allowed Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' B' ' 66' ' ' ASP . 97.1 mt-10 -132.95 132.99 42.62 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.405 -1.056 . . . . 0.0 108.155 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.02 146.41 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.88 0.847 . . . . 0.0 111.482 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 72' ' ' GLN . 22.3 t0 -86.19 25.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.679 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 23.2 p90 53.68 -47.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.6 tt0 -59.96 -39.55 86.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.041 -1.662 . . . . 0.0 108.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.9 -40.12 87.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.99 -1.069 . . . . 0.0 108.858 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 78' ' ' VAL . 65.1 t80 -61.58 -47.62 84.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -40.07 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.802 -1.186 . . . . 0.0 111.54 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.65 -40.03 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.715 -1.24 . . . . 0.0 111.724 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.9 -57.61 5.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.737 -1.227 . . . . 0.0 111.528 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.669 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.2 m -70.7 -23.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.727 -1.233 . . . . 0.0 111.755 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.46 -45.61 65.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.68 -1.262 . . . . 0.0 109.545 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.97 86.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.502 -0.749 . . . . 0.0 111.782 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.28 -48.0 66.17 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.757 -1.214 . . . . 0.0 110.792 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -62.84 -40.95 99.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.884 -1.135 . . . . 0.0 110.684 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.1 t -61.25 -44.64 98.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.545 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.694 -0.629 . . . . 0.0 111.026 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.84 -39.97 86.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.04 -1.037 . . . . 0.0 109.858 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.93 -40.01 87.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.333 -0.855 . . . . 0.0 110.407 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -66.15 -40.0 90.24 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.994 -1.066 . . . . 0.0 109.698 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.1 -39.92 87.87 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.138 -0.976 . . . . 0.0 110.722 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -80.07 -19.04 48.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.956 -1.09 . . . . 0.0 109.435 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -68.13 -44.41 76.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.035 . . . . 0.0 109.21 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.98 -37.74 75.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -75.61 -14.56 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.0 109.958 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.573 -179.558 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.513 ' HA2' ' OE2' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.911 0 N-CA-C 119.165 2.426 . . . . 0.0 119.165 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -96.77 30.67 2.57 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.394 -1.063 . . . . 0.0 109.045 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.692 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -60.0 -49.87 75.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 110.558 -179.354 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 62.3 tp -67.52 -47.85 68.76 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.42 -39.94 89.21 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.129 -0.982 . . . . 0.0 108.723 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m -62.56 -22.08 66.06 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.1 -35.66 76.71 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.166 -0.959 . . . . 0.0 110.173 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -38.07 48.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.993 -1.067 . . . . 0.0 109.975 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -69.78 -25.66 63.9 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.428 1.109 . . . . 0.0 109.168 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -72.79 -58.42 3.35 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.382 -177.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.66 -24.82 63.67 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.52 -31.55 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.532 -1.355 . . . . 0.0 110.147 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -72.51 -43.73 63.19 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.475 -0.766 . . . . 0.0 110.716 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 m -74.13 -31.56 29.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 122.37 1.081 . . . . 0.0 108.591 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.89 -39.96 95.39 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.708 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -88.41 -11.4 46.19 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.62 63.88 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.255 -0.903 . . . . 0.0 108.953 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' ND1' HD21 ' A' ' 36' ' ' LEU . 77.8 m80 -98.03 -35.1 10.55 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.535 -0.728 . . . . 0.0 111.037 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -59.93 -39.34 85.17 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.336 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.01 1.76 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.22 -68.76 0.66 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.406 -1.056 . . . . 0.0 108.515 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -124.56 -8.88 7.41 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.264 -0.574 . . . . 0.0 112.406 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.68 -174.49 43.2 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 50.01 37.61 14.52 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -15.92 59.45 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.404 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 39.9 t80 -90.3 -8.49 50.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.837 -1.165 . . . . 0.0 109.622 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -168.67 172.97 7.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.017 -1.052 . . . . 0.0 109.504 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -79.18 165.28 23.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.94 -1.1 . . . . 0.0 109.356 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -133.16 162.38 31.91 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.153 -0.967 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 33' ' ' LEU . 57.5 tttp -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.964 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -74.57 -31.52 62.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.78 -1.2 . . . . 0.0 110.245 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.9 -42.07 77.39 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.395 -0.816 . . . . 0.0 111.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -70.03 -34.74 73.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.084 -1.01 . . . . 0.0 111.059 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 33' ' ' LEU . 62.5 tttm -60.61 -36.51 78.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.911 -1.118 . . . . 0.0 109.556 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 39' ' ' THR . 95.7 m-20 -66.09 -40.64 90.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.274 -0.891 . . . . 0.0 110.45 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD21 ' ND1' ' A' ' 18' ' ' HIS . 54.2 mt -64.57 -39.97 94.7 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 111.689 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.4 mt -76.97 -41.8 41.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.586 -1.321 . . . . 0.0 111.468 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.15 -21.0 63.12 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.158 -0.964 . . . . 0.0 108.742 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.9 p -73.4 -59.01 2.91 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.824 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 41' ' ' LEU . 20.2 mm-40 -111.96 -29.41 7.65 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.947 -1.096 . . . . 0.0 112.133 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.1 mp -109.42 29.07 7.89 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 120.944 -1.098 . . . . 0.0 110.798 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.9 p -59.92 -43.07 95.12 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.987 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.0 p -74.37 -31.76 62.51 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.823 -1.173 . . . . 0.0 111.038 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -79.98 -69.77 0.56 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.9 -1.125 . . . . 0.0 110.26 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -81.07 97.36 7.49 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 44.5 t0 -54.26 137.71 40.61 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.478 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -164.88 -56.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.997 -1.064 . . . . 0.0 110.683 -178.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.575 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.9 pt20 -60.0 -46.87 88.05 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.968 -177.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -70.75 -39.95 72.98 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.733 -1.229 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -105.52 82.92 1.87 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.463 1.125 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.81 -25.96 65.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.556 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.67 -23.24 62.47 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.595 -1.315 . . . . 0.0 107.688 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.54 -36.05 82.95 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.7 p -78.95 -25.97 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.433 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.97 -40.01 75.63 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.694 -1.254 . . . . 0.0 108.752 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -70.19 -40.02 74.88 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -65.33 -36.35 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-O 121.8 0.81 . . . . 0.0 108.871 -179.131 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 3.5 tmm? -80.51 -27.02 37.81 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -60.9 -41.91 97.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.587 -0.695 . . . . 0.0 109.946 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -69.42 -25.04 63.93 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 77' ' ' LEU . 4.9 mp -80.09 -71.07 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.833 0.825 . . . . 0.0 109.64 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 93.5 m-20 -74.64 41.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.3 tt0 -51.26 -17.53 0.73 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 62' ' ' ASP . 23.3 m120 -82.72 -8.34 59.6 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.224 0.535 . . . . 0.0 109.678 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.83 62.89 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 33.0 p-10 -87.82 -7.27 57.49 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.782 -1.422 . . . . 0.0 110.352 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.03 -4.09 1.86 Allowed Glycine 0 N--CA 1.501 3.017 0 O-C-N 120.865 -1.147 . . . . 0.0 110.534 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.7 mt-10 -123.99 136.4 54.27 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.8 t -99.38 138.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.402 -0.811 . . . . 0.0 109.939 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.3 m-20 -74.16 28.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.606 -0.684 . . . . 0.0 110.373 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 22.7 p90 53.38 -48.19 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.653 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.5 tt0 -60.03 -40.07 88.1 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.451 -1.406 . . . . 0.0 108.994 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.696 -1.252 . . . . 0.0 109.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.672 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.6 t80 -60.23 -49.72 76.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.609 -0.682 . . . . 0.0 112.099 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -29.14 40.66 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 O-C-N 120.38 -1.45 . . . . 0.0 110.211 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.19 -55.93 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.531 -1.356 . . . . 0.0 113.324 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -70.55 -40.14 73.56 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 119.761 -1.837 . . . . 0.0 112.907 -176.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 74' ' ' PHE . 1.6 m -75.94 -27.2 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.058 -1.651 . . . . 0.0 110.931 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.85 73.72 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.613 -1.305 . . . . 0.0 109.251 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.36 68.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -69.45 -39.72 77.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.979 -1.076 . . . . 0.0 110.182 -179.046 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 78' ' ' VAL . 76.8 p -67.0 -44.91 79.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.033 -1.042 . . . . 0.0 111.818 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.7 p -69.15 -43.7 81.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.006 -1.059 . . . . 0.0 110.667 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.493 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.58 -42.92 99.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.0 111.115 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -60.04 -39.97 87.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.118 -0.989 . . . . 0.0 110.627 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 20.7 m120 -60.35 -40.09 89.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.915 -1.116 . . . . 0.0 110.262 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.46 -26.53 62.76 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.992 -1.067 . . . . 0.0 109.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -40.08 88.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.058 -1.026 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -72.17 -17.85 61.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.891 . . . . 0.0 109.494 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -65.19 -34.5 78.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 110.367 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 92' ' ' ASN . 12.0 pt-20 -59.78 -38.97 83.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.985 -1.072 . . . . 0.0 109.813 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 93' ' ' SER . 64.3 t-20 -60.0 -39.38 85.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.35 -0.844 . . . . 0.0 109.066 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.4 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.257 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.492 ' HA2' ' OE2' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.948 0 N-CA-C 119.256 2.463 . . . . 0.0 119.256 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -96.22 30.63 2.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.344 -1.092 . . . . 0.0 109.235 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.682 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -60.03 -49.82 76.16 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 110.569 -179.323 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 60.7 tp -67.32 -47.68 69.82 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.676 -1.265 . . . . 0.0 109.167 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.71 -40.01 90.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.964 . . . . 0.0 108.703 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m -62.46 -22.24 66.07 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.501 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -68.77 -35.98 77.74 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -37.82 47.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.954 -1.091 . . . . 0.0 109.896 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.84 -25.61 63.83 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 122.347 1.07 . . . . 0.0 109.019 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -72.8 -58.27 3.47 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.454 -177.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.93 -24.63 63.4 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.353 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.57 -31.61 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.68 -1.262 . . . . 0.0 110.108 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.82 -43.9 62.13 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.301 -0.874 . . . . 0.0 110.714 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 m -73.52 -32.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 122.508 1.146 . . . . 0.0 108.557 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.65 -40.08 95.95 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.843 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.6 -10.63 48.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.47 62.44 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.165 -0.96 . . . . 0.0 109.0 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' HD21 ' B' ' 36' ' ' LEU . 77.7 m80 -98.01 -34.76 10.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.572 -0.705 . . . . 0.0 111.116 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -60.04 -39.21 85.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 0.0 110.442 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.21 43.42 1.67 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -81.7 -68.44 0.69 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.384 -1.068 . . . . 0.0 108.521 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -124.73 -8.72 7.32 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.276 -0.57 . . . . 0.0 112.31 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -177.02 -174.62 43.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.5 m-20 50.07 37.8 15.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -15.92 59.41 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.488 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 38.5 t80 -89.97 -8.8 50.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.885 -1.134 . . . . 0.0 109.631 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 24' ' ' ASP . 14.6 ptpt -168.74 172.69 7.72 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.97 -1.081 . . . . 0.0 109.404 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 28' ' ' LEU . 27.9 tp -79.04 165.34 23.51 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.963 -1.086 . . . . 0.0 109.465 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p -132.63 162.68 30.7 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.177 -0.952 . . . . 0.0 109.987 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' B' ' 33' ' ' LEU . 57.6 tttp -60.0 -39.71 86.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.943 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -75.28 -31.26 60.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.751 -1.218 . . . . 0.0 110.375 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.98 -41.94 77.2 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.481 -0.762 . . . . 0.0 111.637 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -70.07 -35.22 74.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.195 -0.94 . . . . 0.0 110.891 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.9 tttm -60.03 -36.61 77.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 109.667 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 96.1 m-20 -66.4 -40.02 89.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.548 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' ND1' ' B' ' 18' ' ' HIS . 54.0 mt -65.12 -40.07 93.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 111.602 -178.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 42' ' ' SER . 52.5 mt -76.59 -42.42 42.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.588 -1.32 . . . . 0.0 111.46 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -69.96 -21.08 63.28 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.055 0.931 . . . . 0.0 108.739 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.8 p -72.81 -59.79 2.55 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.297 -0.877 . . . . 0.0 110.619 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.438 ' C ' HD12 ' B' ' 41' ' ' LEU . 19.5 mm-40 -111.5 -29.36 7.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.991 -1.068 . . . . 0.0 112.336 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.438 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.59 29.34 7.67 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.952 -1.093 . . . . 0.0 110.621 -177.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.1 p -60.11 -42.93 95.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.884 -1.135 . . . . 0.0 111.11 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.2 p -74.45 -32.0 62.45 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.0 111.012 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.07 -69.75 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 110.222 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.2 mm? -80.97 97.55 7.52 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 45.1 t0 -53.96 137.9 38.19 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.586 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.5 p -165.3 -56.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.004 -1.06 . . . . 0.0 110.549 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.586 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.8 pt20 -59.84 -46.4 89.38 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -71.14 -39.8 71.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.721 -1.237 . . . . 0.0 109.32 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -105.67 83.18 1.9 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.374 1.083 . . . . 0.0 108.992 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.626 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.98 -26.41 66.0 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.252 -0.905 . . . . 0.0 109.451 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.1 p-10 -70.15 -23.89 63.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.632 -1.292 . . . . 0.0 107.623 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -63.04 -38.61 91.89 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.626 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.1 p -77.3 -25.82 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 C-N-CA 119.347 -0.941 . . . . 0.0 110.662 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.87 -39.98 76.02 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.777 -1.202 . . . . 0.0 108.635 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.41 -39.91 74.17 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.831 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.431 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -65.5 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.095 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 3.4 tmm? -80.27 -27.22 38.65 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.686 0.755 . . . . 0.0 109.061 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.58 -42.33 96.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.497 -0.752 . . . . 0.0 110.07 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.12 -25.19 64.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.407 -0.808 . . . . 0.0 108.848 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 HD11 ' B' ' 77' ' ' LEU . 4.6 mp -80.08 -70.87 0.49 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.808 0.813 . . . . 0.0 109.628 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 94.1 m-20 -74.83 41.66 0.16 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.5 tt0 -51.28 -17.24 0.67 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.481 ' N ' ' C ' ' B' ' 62' ' ' ASP . 21.6 m120 -82.85 -8.45 59.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.25 0.548 . . . . 0.0 109.672 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.99 28.02 63.31 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.238 -0.914 . . . . 0.0 110.978 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 33.3 p-10 -87.45 -7.7 57.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.75 -1.441 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.12 -3.61 2.18 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 120.885 -1.134 . . . . 0.0 110.458 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' B' ' 66' ' ' ASP . 36.9 mt-10 -124.23 136.36 54.1 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 71' ' ' PHE . 24.9 t -99.27 138.09 24.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.665 ' O ' ' N ' ' B' ' 72' ' ' GLN . 82.3 m-20 -74.04 28.17 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.549 -0.719 . . . . 0.0 110.293 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 22.6 p90 53.67 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.4 tt0 -59.98 -39.87 87.2 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.473 -1.392 . . . . 0.0 109.049 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.22 -43.61 95.86 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.624 -1.297 . . . . 0.0 109.558 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.66 ' O ' HG22 ' B' ' 78' ' ' VAL . 63.5 t80 -60.31 -49.73 76.43 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.717 -0.614 . . . . 0.0 112.08 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -29.7 40.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 120.212 -1.555 . . . . 0.0 110.066 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -56.29 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.019 -1.05 . . . . 0.0 113.321 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.724 HD22 ' H ' ' B' ' 77' ' ' LEU . 0.0 OUTLIER -71.15 -39.87 71.67 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 119.752 -1.843 . . . . 0.0 113.043 -176.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -75.97 -27.13 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.026 -1.671 . . . . 0.0 110.96 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.87 73.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.5 -1.375 . . . . 0.0 109.276 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.15 68.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.54 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -69.46 -39.78 77.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.017 -1.052 . . . . 0.0 110.148 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.574 ' O ' ' ND2' ' B' ' 86' ' ' ASN . 82.2 p -67.08 -45.53 77.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.039 -1.038 . . . . 0.0 111.712 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.489 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.9 p -68.27 -43.88 84.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.924 -1.11 . . . . 0.0 110.65 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.489 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.86 -42.52 99.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.996 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.02 -40.31 88.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.126 -0.984 . . . . 0.0 110.705 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' B' ' 82' ' ' THR . 57.7 m-80 -60.22 -39.91 88.32 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.929 -1.107 . . . . 0.0 110.375 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.64 -26.54 62.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.967 -1.083 . . . . 0.0 108.967 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 109.96 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -72.22 -17.74 61.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -65.44 -34.17 77.65 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 110.421 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' B' ' 92' ' ' ASN . 12.6 pt-20 -59.87 -39.03 83.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.088 -1.008 . . . . 0.0 109.813 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' B' ' 93' ' ' SER . 64.3 t-20 -59.96 -39.72 86.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.39 -0.819 . . . . 0.0 108.968 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.4 t . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.811 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -82.71 4.72 23.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.112 -1.228 . . . . 0.0 109.259 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -59.99 -44.82 94.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.44 -0.787 . . . . 0.0 110.268 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 60.3 tp -68.77 -52.61 28.52 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.532 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 10' ' ' THR . 31.5 m -61.7 -22.96 65.79 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.99 -37.25 75.66 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.764 -0.585 . . . . 0.0 111.038 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtt -80.96 -35.02 32.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.78 -1.2 . . . . 0.0 110.221 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.09 -29.26 66.2 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.453 1.121 . . . . 0.0 108.113 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -69.73 -59.02 3.21 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.917 -177.586 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.99 -28.1 65.25 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.119 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.25 -39.82 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.093 -1.004 . . . . 0.0 109.831 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -65.3 -39.89 93.1 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.225 1.012 . . . . 0.0 109.456 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -24.43 16.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -35.98 75.8 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -88.68 -9.03 53.5 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.78 54.89 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.987 -1.07 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 22.7 t-80 -112.55 -25.8 8.98 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.576 -0.702 . . . . 0.0 112.024 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 43.4 t -59.95 -39.02 84.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.897 -1.127 . . . . 0.0 110.74 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.34 0.82 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -87.16 -48.89 7.68 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -1.113 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.95 -33.08 6.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.847 -0.533 . . . . 0.0 111.406 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 25' ' ' LYS . . . -169.39 -166.05 27.77 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 50.02 29.17 3.31 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' GLY . 3.6 tmtt? -65.48 -19.63 66.01 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.124 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.64 -11.71 36.29 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.731 -1.23 . . . . 0.0 110.685 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -160.26 161.41 33.41 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.788 -1.195 . . . . 0.0 109.588 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -79.09 162.19 26.02 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.689 -1.257 . . . . 0.0 108.515 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.6 m -136.86 166.61 23.22 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.797 -1.189 . . . . 0.0 110.169 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -59.87 -40.24 87.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.899 . . . . 0.0 112.396 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -77.85 -28.65 50.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.366 -1.458 . . . . 0.0 110.334 -177.716 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 19' ' ' SER . 94.0 mt-10 -65.06 -48.76 72.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 111.326 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -68.43 -34.51 76.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.844 . . . . 0.0 111.143 -179.359 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 55.7 tttm -64.93 -39.97 94.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.927 -1.108 . . . . 0.0 110.338 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 89.5 m-20 -61.2 -40.15 92.88 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.104 -0.998 . . . . 0.0 109.554 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 ' CB ' ' A' ' 18' ' ' HIS . 85.0 mt -60.38 -40.0 89.3 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.75 -35.6 38.53 Favored 'General case' 0 C--N 1.288 -2.099 0 O-C-N 119.952 -1.717 . . . . 0.0 110.965 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.54 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.9 mt-30 -69.77 -0.47 7.13 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 111.836 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -101.73 -50.88 3.58 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.057 -1.027 . . . . 0.0 111.648 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' HD22 ' A' ' 41' ' ' LEU . 42.5 mm-40 -111.89 -31.5 6.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.954 -1.091 . . . . 0.0 112.173 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 40' ' ' GLU . 1.4 mm? -110.36 28.7 8.39 Favored 'General case' 0 N--CA 1.513 2.714 0 O-C-N 120.924 -1.11 . . . . 0.0 110.706 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 m -61.44 -41.74 97.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.02 -1.05 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -70.06 -39.4 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.363 -0.835 . . . . 0.0 111.954 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.2 -67.71 0.73 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 109.591 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.4 mt -81.03 97.06 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.34 106.26 0.72 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.569 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HG2' ' A' ' 38' ' ' GLN . 1.3 p -124.49 -19.23 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.545 -0.722 . . . . 0.0 109.537 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -80.14 -68.02 0.71 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.04 -1.038 . . . . 0.0 112.803 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.74 -45.95 81.67 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 110.963 -176.003 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -97.15 77.66 2.72 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.543 -1.348 . . . . 0.0 109.498 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.87 -19.98 20.53 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.52 -21.67 57.78 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.6 81.05 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 51' ' ' ALA . 5.7 p -78.87 -24.77 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.235 -0.916 . . . . 0.0 110.223 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -70.09 -39.9 75.29 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.805 -1.184 . . . . 0.0 107.806 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.17 -39.26 75.39 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.618 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -70.74 -32.05 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.397 -178.457 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 ttp -83.71 -25.5 30.57 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.61 -36.37 78.42 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.4 mp -77.72 -65.13 1.0 Allowed 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.515 0.674 . . . . 0.0 109.784 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' C ' ' N ' ' A' ' 64' ' ' ASN . 96.9 m-20 -80.82 42.88 0.65 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.01 -13.9 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 62' ' ' ASP . 49.8 t30 -88.65 -6.23 57.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.09 33.64 69.73 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.2 p-10 -87.95 -5.67 58.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.035 -1.274 . . . . 0.0 110.6 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.83 -2.7 1.81 Allowed Glycine 0 N--CA 1.497 2.739 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.5 mt-10 -130.0 144.82 51.54 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.442 -1.034 . . . . 0.0 108.646 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 71' ' ' PHE . 40.6 t -113.65 149.03 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 CA-C-O 121.979 0.895 . . . . 0.0 111.756 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.635 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 44.0 t0 -85.49 23.33 1.37 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 30.2 p90 54.59 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 19.7 pt20 -60.05 -37.65 80.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.057 -1.652 . . . . 0.0 108.892 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -60.09 -40.0 88.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.18 -0.95 . . . . 0.0 108.89 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HA ' HD21 ' A' ' 61' ' ' LEU . 59.0 t80 -64.53 -49.24 72.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.7 -39.9 77.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 120.81 -1.181 . . . . 0.0 111.419 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -68.41 -34.75 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.48 -1.388 . . . . 0.0 111.217 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 57' ' ' ILE . 13.9 tp -63.4 -58.08 8.23 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.942 -1.098 . . . . 0.0 111.315 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.91 -22.44 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.614 . . . . 0.0 110.686 -178.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.48 -49.76 57.38 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.178 -0.952 . . . . 0.0 110.216 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.73 74.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.203 -0.936 . . . . 0.0 112.121 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.55 -46.83 74.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.738 -1.226 . . . . 0.0 111.12 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.6 -40.76 89.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.845 -1.159 . . . . 0.0 111.029 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -61.21 -42.13 92.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.387 -0.82 . . . . 0.0 109.394 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.15 92.58 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.646 -0.659 . . . . 0.0 110.14 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.11 -42.51 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.158 -0.964 . . . . 0.0 110.646 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.928 -1.108 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.93 -38.58 86.3 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.298 -0.876 . . . . 0.0 108.696 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.17 -40.97 91.83 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.291 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -70.03 -37.4 75.6 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.969 -1.082 . . . . 0.0 108.929 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -86.5 0.66 53.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.542 -0.724 . . . . 0.0 109.945 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.08 -40.65 90.31 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.015 -1.053 . . . . 0.0 108.651 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -85.0 -6.56 59.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.355 -0.84 . . . . 0.0 109.438 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.469 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -82.66 4.75 23.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.156 . . . . 0.0 109.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.439 -0.788 . . . . 0.0 110.163 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.542 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 61.5 tp -68.55 -52.47 31.54 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.564 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -39.96 87.43 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 10' ' ' THR . 31.4 m -61.75 -23.17 65.99 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.42 -37.55 77.48 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.344 0.592 . . . . 0.0 110.961 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.4 mtt -80.9 -35.13 32.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.286 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.03 -29.04 65.99 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.475 1.131 . . . . 0.0 108.14 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -70.03 -59.0 3.18 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.819 -177.549 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.943 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.48 -39.4 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.216 -0.927 . . . . 0.0 110.035 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -65.82 -40.1 91.52 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.138 0.97 . . . . 0.0 109.499 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.06 -24.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.78 -36.03 75.38 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -88.48 -9.2 53.26 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.37 55.3 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.884 -1.135 . . . . 0.0 109.694 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.535 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 22.7 t-80 -112.63 -25.9 8.9 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.573 -0.704 . . . . 0.0 111.968 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 44.9 t -60.02 -39.29 85.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.859 -1.151 . . . . 0.0 110.745 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.88 52.14 0.83 Allowed Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -86.88 -49.29 7.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.285 -1.127 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -111.95 -32.9 6.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.854 -0.529 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.08 -166.11 27.58 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.06 29.14 3.34 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -65.55 -19.6 65.99 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.081 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.37 -12.37 35.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.71 -1.244 . . . . 0.0 110.638 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -160.07 161.21 33.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.778 -1.201 . . . . 0.0 109.681 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -78.96 162.23 26.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.652 -1.28 . . . . 0.0 108.507 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -136.53 167.1 22.01 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.853 -1.154 . . . . 0.0 110.168 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -60.11 -40.08 88.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 112.523 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.503 ' CD ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -78.22 -28.67 47.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.336 -1.478 . . . . 0.0 110.311 -177.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' B' ' 19' ' ' SER . 94.2 mt-10 -64.99 -48.89 72.36 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.327 -0.858 . . . . 0.0 111.273 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -34.53 76.29 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.334 -0.854 . . . . 0.0 111.178 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 54.9 tttm -64.8 -40.1 94.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.998 -1.063 . . . . 0.0 110.264 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 89.9 m-20 -61.27 -39.91 92.14 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.199 -0.938 . . . . 0.0 109.715 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' B' ' 18' ' ' HIS . 83.5 mt -60.7 -39.99 90.59 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -79.73 -35.74 38.4 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 119.989 -1.694 . . . . 0.0 111.028 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -69.54 -0.66 7.01 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 111.867 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -101.66 -50.94 3.57 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.995 -1.066 . . . . 0.0 111.545 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' HB2' HD22 ' B' ' 41' ' ' LEU . 43.2 mm-40 -111.88 -31.54 6.9 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.889 -1.132 . . . . 0.0 112.089 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 40' ' ' GLU . 1.5 mm? -110.14 28.29 8.76 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.981 -1.075 . . . . 0.0 110.862 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.9 m -61.32 -41.82 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.01 -1.056 . . . . 0.0 110.089 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -69.91 -39.61 76.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.314 -0.866 . . . . 0.0 111.981 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.03 -67.6 0.74 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.693 -1.255 . . . . 0.0 109.674 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.91 97.16 7.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.59 106.12 0.73 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.627 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG2' ' B' ' 38' ' ' GLN . 1.3 p -124.44 -19.13 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.609 -0.682 . . . . 0.0 109.575 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 -67.99 0.71 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.983 -1.073 . . . . 0.0 112.812 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.02 -45.35 83.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 111.149 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -97.45 77.44 2.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.441 -1.412 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.83 -20.13 21.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.21 -22.13 58.18 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.01 -37.26 87.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.1 p -77.8 -24.68 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.96 -40.13 75.6 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.753 -1.217 . . . . 0.0 107.765 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.94 -39.45 76.09 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.652 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -70.72 -32.14 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.712 -0.617 . . . . 0.0 109.386 -178.424 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.51 -25.37 31.12 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 122.388 1.09 . . . . 0.0 108.138 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -60.09 -40.13 88.54 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.46 -36.4 78.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.6 mp -77.73 -65.29 0.98 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.514 0.674 . . . . 0.0 109.848 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.471 ' C ' ' N ' ' B' ' 64' ' ' ASN . 96.7 m-20 -80.81 42.94 0.65 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.1 -13.63 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.471 ' N ' ' C ' ' B' ' 62' ' ' ASP . 49.7 t30 -88.93 -6.16 57.47 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.07 33.75 69.89 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.0 p-10 -87.91 -5.86 58.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.037 -1.273 . . . . 0.0 110.593 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.67 -2.38 1.88 Allowed Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.4 mt-10 -130.01 144.71 51.48 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.563 -0.963 . . . . 0.0 108.545 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.415 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.1 t -113.48 149.16 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 121.877 0.846 . . . . 0.0 111.733 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.638 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 44.3 t0 -85.61 23.28 1.41 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 29.2 p90 54.39 -47.36 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.629 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 19.5 pt20 -60.09 -37.65 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.125 -1.609 . . . . 0.0 108.83 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -59.99 -40.05 87.84 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 108.919 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.528 ' HA ' HD21 ' B' ' 61' ' ' LEU . 58.9 t80 -64.38 -49.53 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.62 -40.0 77.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 120.747 -1.22 . . . . 0.0 111.393 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 m -67.68 -35.38 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.731 -1.23 . . . . 0.0 111.191 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.652 HD21 HG13 ' B' ' 57' ' ' ILE . 13.5 tp -63.33 -58.12 8.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.972 -1.08 . . . . 0.0 111.424 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.462 ' H ' HG22 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.73 -22.56 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.65 -0.656 . . . . 0.0 110.667 -178.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -68.14 -50.21 56.12 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.84 74.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.252 -0.905 . . . . 0.0 112.191 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.53 -47.1 73.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.721 -1.237 . . . . 0.0 110.993 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -65.64 -42.03 91.91 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.928 -1.108 . . . . 0.0 111.032 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.29 -42.32 90.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.476 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.06 92.97 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.551 -0.718 . . . . 0.0 110.082 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.3 m -61.01 -42.64 98.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.0 110.629 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.31 -40.04 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.885 -1.134 . . . . 0.0 109.585 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.82 -38.8 86.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.643 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.86 -41.11 90.77 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.332 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -70.13 -37.15 75.23 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 120.944 -1.098 . . . . 0.0 108.88 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -86.47 0.55 53.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.757 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -40.49 89.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.028 -1.045 . . . . 0.0 108.735 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -85.08 -6.49 59.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.4 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.446 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.817 0 N-CA-C 119.386 2.515 . . . . 0.0 119.386 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' THR . 52.8 m -101.71 21.72 14.01 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.299 -1.118 . . . . 0.0 109.273 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 4.6 mm-40 -60.12 -49.76 76.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.336 -0.853 . . . . 0.0 109.213 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.71 -39.92 63.98 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -39.94 95.85 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 2' ' ' SER . 22.4 m -64.0 -21.19 66.39 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.16 -39.1 78.97 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.059 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 57.5 ttp -75.45 -40.0 58.11 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 110.928 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.01 66.04 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.383 -0.823 . . . . 0.0 111.294 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.6 t -78.53 -46.14 20.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.113 -0.992 . . . . 0.0 111.802 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -69.64 -27.04 64.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.167 -1.583 . . . . 0.0 109.009 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.85 -36.48 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.003 -1.061 . . . . 0.0 109.998 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -71.15 -41.49 70.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.974 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.41 -33.08 58.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 36.5 t80 -60.85 -40.07 91.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 40.6 t-80 -86.77 -7.4 58.29 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -30.88 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.935 -1.103 . . . . 0.0 110.706 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.09 -32.3 6.83 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.077 -1.015 . . . . 0.0 110.803 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.118 -0.989 . . . . 0.0 111.304 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.23 -5.21 90.22 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.965 -1.084 . . . . 0.0 110.636 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -26.41 44.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.949 -1.324 . . . . 0.0 108.694 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -89.3 -2.83 58.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 90.29 -32.82 4.77 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.9 m-20 -71.08 59.55 0.24 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' GLY . 4.2 ttpm? -78.05 -16.91 57.64 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 -177.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.48 -14.21 41.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.808 -1.183 . . . . 0.0 109.269 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' ASP . 2.7 ttmp? -153.88 155.1 35.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 28' ' ' LEU . 23.6 tp -84.86 169.95 13.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.89 -1.131 . . . . 0.0 108.542 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.517 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.7 t -137.81 166.52 23.79 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.988 -1.07 . . . . 0.0 110.425 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 87.1 tttt -59.88 -39.9 86.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.644 -0.66 . . . . 0.0 111.036 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -75.98 -34.54 59.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.814 -1.179 . . . . 0.0 110.412 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 29' ' ' SER . 58.6 mt-10 -61.84 -49.95 74.23 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 111.392 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -68.3 -32.25 72.25 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.554 -0.717 . . . . 0.0 109.855 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 51.4 tttm -62.22 -39.92 94.39 Favored 'General case' 0 C--O 1.192 -1.926 0 O-C-N 121.018 -1.051 . . . . 0.0 109.787 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 39' ' ' THR . 26.0 t0 -63.85 -40.41 96.5 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.65 -1.281 . . . . 0.0 110.137 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.9 -40.1 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.406 -0.809 . . . . 0.0 110.702 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.9 mt -73.82 -41.14 62.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.027 -1.046 . . . . 0.0 110.793 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.9 mt-30 -69.96 -25.23 63.53 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' ASP . 14.1 p -82.49 -55.3 4.57 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.209 -0.932 . . . . 0.0 112.223 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.5 mt-10 -111.31 -29.82 7.67 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.888 -1.132 . . . . 0.0 113.233 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.03 23.28 14.55 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 120.81 -1.181 . . . . 0.0 110.586 -177.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 37' ' ' LEU . 21.7 p -60.13 -40.24 89.09 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 m -62.23 -45.9 91.25 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.022 -1.049 . . . . 0.0 111.255 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -76.53 -68.79 0.56 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.004 -1.06 . . . . 0.0 110.341 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.7 mp -81.74 94.06 6.93 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 35.7 p-10 -59.64 83.06 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.113 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -95.34 -14.73 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.539 -0.726 . . . . 0.0 109.911 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.0 -67.49 0.76 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.021 -1.049 . . . . 0.0 112.529 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.78 -47.84 84.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 110.501 -176.396 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' ALA . 82.6 m-20 -94.34 78.69 3.92 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.115 -1.616 . . . . 0.0 109.29 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.567 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.22 -24.49 42.4 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.04 -20.68 63.23 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -31.54 72.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -76.64 -31.34 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.683 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.3 m-20 -66.42 -40.01 89.31 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.917 -1.114 . . . . 0.0 108.985 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.513 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -41.01 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HA ' HD22 ' A' ' 61' ' ' LEU . 27.5 ptm -82.47 -31.93 29.14 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 111.069 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.04 -39.94 91.72 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 122.571 1.177 . . . . 0.0 108.774 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.76 -40.12 94.02 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.24 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.026 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -106.39 -24.44 12.24 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.092 -1.005 . . . . 0.0 111.155 -178.057 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 1.026 ' N ' HD23 ' A' ' 61' ' ' LEU . 6.9 t0 -82.81 50.53 1.71 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.442 -1.411 . . . . 0.0 108.039 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -60.24 -10.59 4.76 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.35 -11.56 60.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.97 24.12 33.58 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 22.9 p-10 -91.18 -0.13 57.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.689 -0.889 . . . . 0.0 110.533 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.51 9.94 5.35 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.2 mt-10 -132.18 139.88 48.53 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 71' ' ' PHE . 43.3 t -109.4 137.46 41.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-O 121.385 0.612 . . . . 0.0 110.362 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 72' ' ' GLN . 37.5 t0 -72.84 17.73 0.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 36.5 t80 61.65 -50.75 0.13 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 122.075 -0.391 . . . . 0.0 111.131 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 tm0? -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.476 -1.39 . . . . 0.0 108.427 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 61' ' ' LEU . 51.6 mt-10 -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.106 -0.996 . . . . 0.0 108.635 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 78' ' ' VAL . 69.1 t80 -60.02 -44.88 94.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.681 -178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.05 -39.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.782 -1.199 . . . . 0.0 111.342 -177.5 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 76' ' ' VAL . 11.4 m -72.29 -37.45 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.3 -1.5 . . . . 0.0 111.63 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.83 -56.53 14.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.83 -1.169 . . . . 0.0 111.179 -178.041 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -74.86 -21.92 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.845 -0.535 . . . . 0.0 111.588 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -68.35 -46.5 69.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.728 -1.232 . . . . 0.0 109.393 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.78 75.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.355 -0.841 . . . . 0.0 110.944 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.2 -47.74 75.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.891 -1.13 . . . . 0.0 111.981 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.1 t -74.14 -41.78 61.0 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.95 -1.094 . . . . 0.0 111.635 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' N ' HG23 ' A' ' 82' ' ' THR . 49.5 t -60.67 -44.91 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.099 -1.001 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.383 -0.823 . . . . 0.0 109.784 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.94 -40.03 87.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.321 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.012 -1.055 . . . . 0.0 109.829 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.315 -0.865 . . . . 0.0 110.591 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -91.14 -18.99 23.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.041 -1.037 . . . . 0.0 109.965 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -87.73 -20.79 25.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.054 -1.028 . . . . 0.0 110.437 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.49 -39.43 87.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.895 -1.128 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 93' ' ' SER . 27.4 t-20 -59.96 -39.88 87.11 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.219 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.833 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' B' ' 6' ' ' THR . 51.5 m -101.9 21.83 14.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.196 -1.179 . . . . 0.0 109.417 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 4.5 mm-40 -60.02 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.857 . . . . 0.0 109.227 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.65 -40.01 64.05 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.85 -39.94 95.93 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 2' ' ' SER . 21.1 m -63.91 -21.05 66.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -69.09 -39.75 78.84 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 122.013 0.911 . . . . 0.0 109.049 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.472 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 56.0 ttp -75.19 -39.85 59.84 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.127 -0.983 . . . . 0.0 110.891 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -29.84 65.83 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.399 -0.813 . . . . 0.0 111.181 -177.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 11' ' ' LEU . 11.6 t -78.51 -46.46 19.52 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 121.063 -1.023 . . . . 0.0 111.805 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -69.37 -27.06 65.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.342 -1.474 . . . . 0.0 108.942 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.36 -35.47 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 110.211 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -72.09 -41.26 67.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.3 -33.15 58.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.7 t80 -60.76 -40.05 91.02 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 16' ' ' HIS . 40.1 t-80 -87.16 -6.82 58.49 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.37 23.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.809 -1.182 . . . . 0.0 110.756 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.27 -32.24 6.81 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.049 -1.032 . . . . 0.0 110.749 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -63.2 -39.92 96.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.154 -0.966 . . . . 0.0 111.264 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -4.57 90.27 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.936 -1.126 . . . . 0.0 110.691 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -78.98 -26.28 43.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.898 -1.354 . . . . 0.0 108.497 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -89.49 -2.75 58.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.56 -0.712 . . . . 0.0 110.156 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 90.53 -33.29 4.64 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.9 m-20 -70.79 59.6 0.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' GLY . 4.1 ttpm? -78.32 -16.82 57.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.56 -177.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.47 -14.44 40.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.828 -1.17 . . . . 0.0 109.254 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' B' ' 24' ' ' ASP . 2.7 ttmp? -153.71 155.08 35.29 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 28' ' ' LEU . 23.5 tp -84.75 169.97 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.1 . . . . 0.0 108.668 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 36.4 t -137.25 167.11 22.22 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.001 -1.062 . . . . 0.0 110.475 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.506 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 87.1 tttt -60.04 -40.0 87.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.614 -0.679 . . . . 0.0 110.99 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -76.57 -34.1 58.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.857 -1.152 . . . . 0.0 110.536 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 29' ' ' SER . 58.9 mt-10 -62.08 -49.95 73.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 111.299 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.5 -31.94 71.57 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.353 -0.842 . . . . 0.0 109.916 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 51.9 tttm -62.36 -39.92 94.73 Favored 'General case' 0 C--O 1.193 -1.92 0 O-C-N 121.131 -0.981 . . . . 0.0 109.783 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.482 ' O ' HG23 ' B' ' 39' ' ' THR . 24.6 t0 -64.01 -39.93 95.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.626 -1.297 . . . . 0.0 110.297 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.33 -40.02 94.99 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 110.685 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.3 mt -73.74 -41.15 62.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.91 -1.119 . . . . 0.0 110.85 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.518 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.7 mt-30 -70.05 -24.98 63.35 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' B' ' 35' ' ' ASP . 12.7 p -82.96 -54.72 4.86 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.196 -0.94 . . . . 0.0 112.262 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.8 mt-10 -111.52 -29.95 7.56 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.895 -1.128 . . . . 0.0 113.208 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.4 mp -110.02 23.2 14.66 Favored 'General case' 0 N--CA 1.516 2.875 0 O-C-N 120.806 -1.184 . . . . 0.0 110.556 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 37' ' ' LEU . 24.8 p -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.165 -0.959 . . . . 0.0 110.611 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 57.8 m -62.82 -45.14 93.99 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 111.265 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.02 -68.86 0.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.8 mp -81.76 94.12 6.95 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 35.7 p-10 -59.81 83.12 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.99 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -95.48 -14.52 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.556 -0.715 . . . . 0.0 109.88 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.04 -67.78 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 112.508 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.533 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.4 -47.98 83.4 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.395 -0.816 . . . . 0.0 110.502 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.6 m-20 -94.29 78.55 3.95 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.237 -1.539 . . . . 0.0 109.465 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.11 -24.57 41.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.06 -20.26 63.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -66.46 -30.99 71.46 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.9 OUTLIER -77.17 -31.21 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.664 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.506 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 97.9 m-20 -66.65 -39.87 88.43 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.973 -1.079 . . . . 0.0 108.82 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -70.21 -39.96 74.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -40.79 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.219 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.45 ' HA ' HD22 ' B' ' 61' ' ' LEU . 27.2 ptm -82.75 -31.49 28.34 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.239 -0.913 . . . . 0.0 111.105 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.12 -40.05 92.33 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 122.569 1.176 . . . . 0.0 108.745 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.73 -40.01 93.57 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.273 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 1.003 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -106.75 -24.23 12.16 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.154 -0.966 . . . . 0.0 111.146 -178.077 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 1.003 ' N ' HD23 ' B' ' 61' ' ' LEU . 7.0 t0 -83.03 50.5 1.74 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.456 -1.402 . . . . 0.0 107.977 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.03 -10.81 4.65 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.49 -11.35 60.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.13 0.491 . . . . 0.0 109.68 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.63 24.67 32.98 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 23.1 p-10 -91.23 -0.43 57.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.666 -0.902 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.15 5.61 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 66' ' ' ASP . 43.2 mt-10 -132.4 139.96 48.28 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' B' ' 71' ' ' PHE . 44.2 t -109.34 137.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 121.422 0.63 . . . . 0.0 110.463 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 72' ' ' GLN . 36.1 t0 -73.05 17.58 0.12 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 36.5 t80 61.44 -50.63 0.13 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.027 -0.421 . . . . 0.0 111.272 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' B' ' 70' ' ' ASP . 1.6 tm0? -59.99 -40.01 87.7 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.369 -1.457 . . . . 0.0 108.363 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.505 ' C ' HD12 ' B' ' 61' ' ' LEU . 52.0 mt-10 -59.99 -40.38 88.98 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.121 -0.987 . . . . 0.0 108.561 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.834 ' O ' HG22 ' B' ' 78' ' ' VAL . 68.4 t80 -60.05 -44.58 94.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.568 -0.707 . . . . 0.0 111.716 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -40.7 83.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.748 -1.22 . . . . 0.0 111.125 -177.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' H ' HG22 ' B' ' 76' ' ' VAL . 13.5 m -71.43 -37.72 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 111.784 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -56.6 13.8 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.772 -1.205 . . . . 0.0 111.181 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.834 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -74.73 -21.53 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.82 -0.55 . . . . 0.0 111.638 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -68.66 -46.74 68.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.71 -1.244 . . . . 0.0 109.348 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.46 75.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.0 -48.37 74.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.884 -1.135 . . . . 0.0 111.885 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.5 HG23 ' N ' ' B' ' 83' ' ' VAL . 11.6 t -73.45 -42.82 61.47 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.924 -1.11 . . . . 0.0 111.486 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.5 ' N ' HG23 ' B' ' 82' ' ' THR . 46.9 t -60.11 -44.8 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.08 -1.013 . . . . 0.0 109.223 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.05 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.496 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -40.09 87.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.05 -1.031 . . . . 0.0 110.227 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.67 -40.16 92.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.037 -1.039 . . . . 0.0 109.951 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.24 -39.98 94.62 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.326 -0.859 . . . . 0.0 110.668 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -91.22 -19.0 23.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -87.66 -20.76 25.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 110.498 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.55 -39.33 87.54 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.848 -1.158 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' B' ' 93' ' ' SER . 27.4 t-20 -60.01 -39.79 87.04 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.182 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.757 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -101.04 14.59 31.48 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.279 -1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.01 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 0.0 109.476 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 41' ' ' LEU . 2.3 tt -70.64 -37.32 73.73 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.22 -40.07 92.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.684 0.754 . . . . 0.0 109.046 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 m -65.37 -20.96 66.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.62 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -71.07 -40.04 71.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.259 -0.9 . . . . 0.0 109.022 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.43 ' O ' HD12 ' A' ' 12' ' ' ILE . 27.0 ttt -71.02 -39.98 72.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.391 -0.818 . . . . 0.0 110.595 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.9 pt-20 -70.41 -34.47 72.55 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 -177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.614 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 15.4 t -79.06 -52.82 7.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.194 -0.941 . . . . 0.0 112.819 -176.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.56 ' N ' HG23 ' A' ' 10' ' ' THR . 1.9 pp -61.29 -26.67 67.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 119.988 -1.695 . . . . 0.0 108.715 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 8' ' ' MET . 77.1 mt -74.51 -33.6 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.708 -1.245 . . . . 0.0 109.865 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 88.8 m-20 -70.01 -44.32 69.58 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.331 -0.856 . . . . 0.0 110.891 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.6 m -69.97 -33.74 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 14' ' ' VAL . 41.6 t80 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.128 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -88.01 -10.38 50.52 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.57 -40.01 61.91 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.425 -0.797 . . . . 0.0 109.322 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -101.2 -34.67 9.58 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.474 -0.767 . . . . 0.0 111.031 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.2 m -59.88 -40.01 87.23 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.638 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.17 4.07 84.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -88.69 -20.97 24.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.512 -0.993 . . . . 0.0 109.615 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.95 -1.23 37.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.324 -0.86 . . . . 0.0 110.929 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.95 -13.64 64.06 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 27' ' ' LYS . 97.2 m-20 -85.14 37.3 0.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' GLY . 7.1 ttmm -51.41 -20.04 1.62 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.505 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -94.36 -14.51 25.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.658 -1.276 . . . . 0.0 110.641 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 24' ' ' ASP . 13.1 ttmt -149.92 151.81 34.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.003 -1.06 . . . . 0.0 109.136 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -79.72 163.1 24.77 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 28.7 t -135.16 164.46 27.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.893 -1.129 . . . . 0.0 110.431 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -58.87 -40.02 83.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.545 -0.722 . . . . 0.0 111.358 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -74.75 -29.91 61.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.641 -1.287 . . . . 0.0 110.377 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 81.4 mt-10 -65.9 -50.67 63.63 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.144 -0.972 . . . . 0.0 111.312 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -63.4 -30.36 71.5 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.05 -1.032 . . . . 0.0 109.709 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 33.5 tptt -59.99 -40.14 88.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.338 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' THR . 98.5 m-20 -70.97 -40.08 72.16 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.38 -0.825 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.0 mt -62.16 -41.35 98.22 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.021 -1.049 . . . . 0.0 111.854 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.7 -41.68 26.28 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.785 -1.197 . . . . 0.0 111.215 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -10.06 59.37 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.436 -0.79 . . . . 0.0 109.113 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.1 p -81.83 -60.72 2.14 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.672 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.9 mt-10 -111.31 -29.84 7.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.269 -0.894 . . . . 0.0 111.641 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.647 HD21 HD22 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -106.76 26.25 10.25 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 120.884 -1.135 . . . . 0.0 110.313 -177.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -59.97 -45.97 90.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.059 -1.025 . . . . 0.0 111.318 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.9 t -69.97 -39.82 75.74 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 111.916 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.82 -66.72 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.637 -1.289 . . . . 0.0 110.172 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 ' OG1' ' A' ' 82' ' ' THR . 10.9 mp -81.31 97.78 7.84 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -56.61 140.21 47.51 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.9 p -169.43 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 120.92 -1.113 . . . . 0.0 110.259 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.6 pt20 -60.54 -46.11 91.4 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.317 -0.865 . . . . 0.0 110.705 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.965 -1.084 . . . . 0.0 109.72 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -104.1 82.26 1.94 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.188 -0.945 . . . . 0.0 108.935 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.994 -1.066 . . . . 0.0 108.176 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -60.02 -35.71 75.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.06 69.53 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.458 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.64 -28.77 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.009 -1.057 . . . . 0.0 109.486 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.67 -40.01 80.35 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.819 -1.176 . . . . 0.0 108.847 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -70.15 -40.04 75.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 122.009 0.909 . . . . 0.0 109.41 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.723 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.57 -37.37 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.04 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.3 mmm -73.8 -31.45 63.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 0.0 109.598 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.54 -40.07 81.98 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.758 -0.589 . . . . 0.0 109.938 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.98 -25.19 63.5 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 108.855 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.4 mp -89.98 -77.59 0.39 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.765 0.793 . . . . 0.0 110.871 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 83.0 m-20 -73.02 38.43 0.09 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.348 0.594 . . . . 0.0 110.304 -177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.2 pt-20 -62.32 -13.94 34.12 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -81.29 2.21 29.12 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.775 -0.578 . . . . 0.0 111.273 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.31 43.05 13.64 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' A' ' 68' ' ' GLU . 18.2 p-10 -140.88 96.25 2.98 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.28 25.12 0.01 OUTLIER Glycine 0 N--CA 1.506 3.315 0 O-C-N 121.925 -0.484 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' A' ' 66' ' ' ASP . 44.1 mp0 -129.76 133.78 47.21 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 71' ' ' PHE . 8.3 t -100.98 144.33 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.498 -0.751 . . . . 0.0 111.097 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.606 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 96.0 m-20 -74.68 21.35 0.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 14.3 p90 56.36 -39.22 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.079 0.552 . . . . 0.0 112.229 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.588 ' N ' ' O ' ' A' ' 70' ' ' ASP . 14.3 pt20 -69.94 -34.19 73.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.285 -1.509 . . . . 0.0 108.456 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -60.94 -40.05 91.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.13 -0.982 . . . . 0.0 108.609 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 78' ' ' VAL . 60.7 t80 -69.17 -40.33 78.21 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -60.09 -39.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 O-C-N 120.238 -1.539 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.87 -38.73 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.855 -1.153 . . . . 0.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HG13 ' A' ' 57' ' ' ILE . 42.5 tp -59.92 -56.91 15.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.175 -0.953 . . . . 0.0 112.624 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 74' ' ' PHE . 3.0 m -80.07 -21.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 O-C-N 121.734 -0.603 . . . . 0.0 111.372 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.42 -44.62 67.54 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 109.68 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.17 53.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.0 111.694 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.98 -40.01 90.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.046 . . . . 0.0 110.461 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' HD21 ' A' ' 45' ' ' LEU . 94.6 m -63.4 -43.01 98.75 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 122.124 0.964 . . . . 0.0 109.75 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' ALA . 51.7 t -61.61 -40.01 85.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.434 0.635 . . . . 0.0 110.125 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.89 96.49 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.454 -0.779 . . . . 0.0 111.38 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 15.2 p -62.16 -39.92 94.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.804 -1.185 . . . . 0.0 110.586 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 40.6 t30 -60.24 -40.47 90.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.032 -1.042 . . . . 0.0 110.378 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.43 -28.63 65.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.064 -1.023 . . . . 0.0 109.706 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.94 -44.45 94.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.32 -15.7 56.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -66.08 -32.98 74.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.399 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.92 -39.81 86.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 109.303 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.23 -24.16 65.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.869 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.707 179.816 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -100.96 15.13 29.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -1.07 . . . . 0.0 109.643 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -60.09 -49.91 75.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -0.919 . . . . 0.0 109.401 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.78 -37.29 73.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.43 -39.89 92.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.511 -0.743 . . . . 0.0 109.119 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.7 m -65.3 -20.94 66.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -71.12 -40.0 71.69 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 108.975 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.436 ' O ' HD12 ' B' ' 12' ' ' ILE . 27.3 ttt -70.7 -40.06 73.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 110.475 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.2 pt-20 -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.506 -0.747 . . . . 0.0 111.541 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.62 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.8 t -78.91 -52.66 7.98 Favored 'General case' 0 C--O 1.202 -1.424 0 O-C-N 121.196 -0.94 . . . . 0.0 112.8 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.552 ' N ' HG23 ' B' ' 10' ' ' THR . 1.9 pp -61.37 -26.8 68.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.917 -1.739 . . . . 0.0 108.625 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.436 HD12 ' O ' ' B' ' 8' ' ' MET . 76.7 mt -74.41 -33.49 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.699 -1.251 . . . . 0.0 109.843 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 90.0 m-20 -70.28 -44.02 69.26 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.168 -0.957 . . . . 0.0 111.002 -178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.474 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.5 m -69.93 -33.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.474 ' N ' HG23 ' B' ' 14' ' ' VAL . 41.7 t80 -60.09 -39.95 87.88 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.182 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -88.03 -10.45 50.25 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.07 61.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.508 -0.745 . . . . 0.0 109.266 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -101.09 -34.51 9.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.382 -0.824 . . . . 0.0 111.156 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -40.01 88.21 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.328 -0.857 . . . . 0.0 110.552 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.23 84.52 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -88.77 -21.16 23.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -1.013 . . . . 0.0 109.635 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.89 -1.16 38.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.286 -0.884 . . . . 0.0 110.937 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 90.05 -13.51 64.57 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 27' ' ' LYS . 97.3 m-20 -85.15 37.01 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 23' ' ' GLY . 6.5 ttmm -51.16 -19.98 1.36 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.508 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -94.49 -14.67 24.9 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.712 -1.243 . . . . 0.0 110.586 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 24' ' ' ASP . 12.4 ttmt -149.84 151.48 33.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.88 -1.138 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.42 162.89 25.21 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 29.8 t -134.03 165.73 24.37 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.961 -1.087 . . . . 0.0 110.445 -178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -59.95 -40.02 87.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.6 -0.687 . . . . 0.0 111.293 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -74.83 -30.02 61.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.682 -1.261 . . . . 0.0 110.393 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 81.3 mt-10 -65.8 -50.78 63.44 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.216 -0.927 . . . . 0.0 111.313 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -63.22 -30.66 71.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.675 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 35.5 tptt -59.93 -39.91 87.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 109.587 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' B' ' 39' ' ' THR . 98.4 m-20 -71.01 -39.71 72.22 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.47 -0.769 . . . . 0.0 111.047 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.2 mt -62.97 -41.18 99.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.011 -1.055 . . . . 0.0 111.71 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.66 -41.79 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.648 -1.283 . . . . 0.0 111.265 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.13 59.42 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-O 121.727 0.775 . . . . 0.0 109.093 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.1 p -81.81 -60.65 2.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.439 -0.788 . . . . 0.0 110.684 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.1 mt-10 -111.28 -30.05 7.58 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.251 -0.905 . . . . 0.0 111.558 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.655 HD21 HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -106.4 25.74 10.73 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 120.819 -1.175 . . . . 0.0 110.271 -177.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -60.0 -45.51 92.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 111.423 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.0 t -70.31 -39.94 74.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 111.89 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.7 -66.32 0.83 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.683 -1.26 . . . . 0.0 110.272 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.426 HD21 ' OG1' ' B' ' 82' ' ' THR . 10.7 mp -81.81 97.72 8.13 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -56.45 140.03 47.19 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.561 HG13 ' H ' ' B' ' 48' ' ' GLN . 3.1 p -169.32 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.961 -1.087 . . . . 0.0 110.239 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.561 ' H ' HG13 ' B' ' 47' ' ' VAL . 6.2 pt20 -60.56 -46.13 91.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.782 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -69.98 -39.95 75.64 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.873 -1.142 . . . . 0.0 109.728 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -104.06 81.91 1.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.161 -0.962 . . . . 0.0 109.143 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.429 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.0 -28.04 67.36 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.018 -1.051 . . . . 0.0 108.173 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -35.63 75.65 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -31.54 69.73 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.48 -28.65 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.021 -1.049 . . . . 0.0 109.565 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -68.76 -39.99 80.0 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 120.94 -1.1 . . . . 0.0 108.833 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -70.13 -40.19 74.96 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.959 0.885 . . . . 0.0 109.47 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.729 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -63.73 -37.01 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mmm -73.86 -31.44 63.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.852 . . . . 0.0 109.503 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -58.64 -40.17 82.66 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.745 -0.597 . . . . 0.0 109.961 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.04 -25.08 63.39 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.275 -0.891 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.2 mp -89.99 -77.55 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.793 0.806 . . . . 0.0 110.797 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 84.7 m-20 -72.99 38.29 0.08 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.391 0.615 . . . . 0.0 110.304 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' B' ' 61' ' ' LEU . 20.1 pt-20 -62.35 -13.55 30.21 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -81.55 2.07 30.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.915 -0.49 . . . . 0.0 111.216 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.43 43.03 13.25 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.3 p-10 -140.8 96.41 3.01 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.52 25.29 0.01 OUTLIER Glycine 0 N--CA 1.504 3.231 0 O-C-N 121.844 -0.535 . . . . 0.0 112.146 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' B' ' 66' ' ' ASP . 44.7 mp0 -130.04 133.64 46.86 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' PHE . 7.7 t -100.8 144.42 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.476 -0.765 . . . . 0.0 111.094 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.608 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 95.4 m-20 -74.76 21.38 0.11 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 14.3 p90 56.21 -39.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.059 0.544 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' B' ' 70' ' ' ASP . 14.3 pt20 -69.92 -34.27 73.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.287 -1.508 . . . . 0.0 108.56 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.82 -40.01 91.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.198 -0.939 . . . . 0.0 108.494 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' B' ' 78' ' ' VAL . 61.5 t80 -69.56 -40.03 77.04 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.98 -40.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.195 -1.565 . . . . 0.0 109.583 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -38.86 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.038 -1.039 . . . . 0.0 110.229 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.729 HD21 HG13 ' B' ' 57' ' ' ILE . 43.5 tp -60.05 -56.78 17.4 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.33 -0.856 . . . . 0.0 112.677 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.2 m -80.19 -21.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.686 -0.634 . . . . 0.0 111.373 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.39 -44.66 67.56 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.9 -45.2 52.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 111.743 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.67 -40.02 91.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.036 -1.04 . . . . 0.0 110.457 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.426 ' OG1' HD21 ' B' ' 45' ' ' LEU . 94.8 m -63.49 -43.06 98.36 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 122.074 0.94 . . . . 0.0 109.749 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 79' ' ' ALA . 46.3 t -61.44 -40.0 84.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-O 121.462 0.648 . . . . 0.0 110.071 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.49 95.88 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 111.512 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 15.5 p -62.22 -40.14 95.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.869 -1.145 . . . . 0.0 110.475 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.497 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 t30 -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.964 -1.085 . . . . 0.0 110.446 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -70.38 -28.58 65.21 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.045 -1.034 . . . . 0.0 109.742 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -44.21 94.79 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.158 -0.963 . . . . 0.0 110.03 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -80.69 -15.48 56.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.53 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -66.19 -32.83 74.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.449 -0.782 . . . . 0.0 109.378 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.09 -39.91 87.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.14 -24.17 65.87 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.151 -0.968 . . . . 0.0 109.832 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.695 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.387 2.515 . . . . 0.0 119.387 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.6 p -106.28 21.23 17.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.43 -1.041 . . . . 0.0 109.405 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.14 -48.15 82.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.151 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -73.1 -38.64 66.3 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.099 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.3 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.6 m -64.23 -22.98 67.14 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -66.34 -40.01 89.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.116 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mtm -79.46 -32.89 42.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.732 -1.23 . . . . 0.0 110.964 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.81 -33.92 71.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.2 -0.937 . . . . 0.0 110.466 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 14.9 t -76.88 -43.89 34.14 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.419 -0.801 . . . . 0.0 111.762 -177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 10' ' ' THR . 3.2 pp -73.32 -27.74 61.69 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.189 -1.569 . . . . 0.0 109.588 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.07 -37.95 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.807 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -70.01 -39.94 75.55 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.955 0.883 . . . . 0.0 109.86 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.31 -29.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -63.47 -40.02 95.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.511 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 48.8 t60 -81.26 -12.92 58.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.08 56.57 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.115 -0.991 . . . . 0.0 109.892 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 73.2 m80 -119.91 5.54 10.91 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.413 -0.805 . . . . 0.0 111.116 -178.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.625 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 1.2 t -54.19 -8.52 0.2 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.032 -1.043 . . . . 0.0 109.45 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' HIS . . . 117.81 38.36 0.83 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -57.36 -18.22 16.33 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 12.4 pt-20 -90.49 0.15 57.43 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.556 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' GLY . . . 154.37 162.12 10.94 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.7 t0 49.96 39.41 18.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.972 -1.31 . . . . 0.0 107.92 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.625 ' HZ2' ' HB3' ' A' ' 19' ' ' SER . 51.9 tptt -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.505 0.669 . . . . 0.0 109.639 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -81.59 -10.05 59.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.269 -0.895 . . . . 0.0 108.906 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -156.87 158.22 36.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.872 . . . . 0.0 109.08 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.64 162.66 26.08 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.0 t -136.83 165.44 25.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.846 -1.159 . . . . 0.0 110.464 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.01 -39.67 86.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.678 -0.639 . . . . 0.0 111.489 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.52 50.95 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.461 -1.399 . . . . 0.0 110.113 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 29' ' ' SER . 79.5 mt-10 -62.77 -48.39 79.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 110.439 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -72.39 -34.14 67.69 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.346 -0.846 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.11 -37.11 79.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.122 . . . . 0.0 108.567 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 39' ' ' THR . 29.8 t0 -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.763 0.792 . . . . 0.0 109.773 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 18' ' ' HIS . 88.3 mt -65.19 -39.97 93.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.347 -0.846 . . . . 0.0 111.628 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -74.55 -43.75 54.27 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.877 -1.139 . . . . 0.0 111.231 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -70.03 -20.6 63.25 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.382 -0.824 . . . . 0.0 109.465 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.5 p -80.34 -57.96 3.36 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.222 -0.924 . . . . 0.0 111.823 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 5.5 mt-10 -112.22 -29.48 7.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.393 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -110.04 25.73 11.46 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 120.958 -1.089 . . . . 0.0 110.431 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LEU . 10.2 p -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.992 -1.067 . . . . 0.0 111.33 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -68.15 -40.04 82.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 111.826 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.65 -68.86 0.61 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.799 -1.188 . . . . 0.0 109.826 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.57 97.65 7.28 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' CE ' ' A' ' 49' ' ' LYS . 78.1 m-20 -59.39 134.29 56.87 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.44 -38.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.011 -1.056 . . . . 0.0 109.976 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -66.84 -59.59 3.4 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.81 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' CG ' ' A' ' 46' ' ' ASP . 33.1 pttt -64.75 -43.27 93.85 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.2 m-20 -98.49 72.69 2.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.393 -1.442 . . . . 0.0 109.234 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.64 -19.74 2.57 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.797 -1.189 . . . . 0.0 108.004 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 50' ' ' ASP . 11.1 p-10 -73.64 -26.38 60.74 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.55 -36.35 82.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.815 -0.553 . . . . 0.0 109.658 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.6 p -78.28 -25.72 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.05 -40.0 75.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.648 -1.282 . . . . 0.0 108.412 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -70.07 -38.23 75.68 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.055 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.93 66.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.5 mmm -70.94 -32.83 69.83 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.072 0.939 . . . . 0.0 108.779 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -60.03 -45.89 91.29 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.581 0.705 . . . . 0.0 109.627 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.96 -39.25 69.51 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.988 0.899 . . . . 0.0 108.987 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.29 -79.74 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.564 0.697 . . . . 0.0 109.321 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 62.4 t0 -77.63 60.77 2.23 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.33 -13.73 1.52 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.5 t30 -79.24 -15.96 57.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.3 27.34 73.75 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 2.6 p30 -87.1 -5.33 59.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.147 -1.208 . . . . 0.0 109.91 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 75.85 0.49 64.47 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 40.6 mt-10 -127.87 145.46 50.94 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.369 -1.077 . . . . 0.0 108.721 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 t -113.81 149.88 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.745 0.783 . . . . 0.0 110.397 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -93.58 19.99 7.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.357 -0.839 . . . . 0.0 109.179 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 57.1 t80 66.75 -44.68 0.44 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 122.202 -0.311 . . . . 0.0 111.213 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.79 -38.6 91.72 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.365 -1.459 . . . . 0.0 109.212 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.93 -39.95 87.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.768 -1.208 . . . . 0.0 109.02 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 78' ' ' VAL . 34.6 t80 -67.85 -40.12 83.73 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -69.67 -40.07 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.669 -1.269 . . . . 0.0 112.526 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' B' ' 76' ' ' VAL . 74.5 t -70.06 -40.11 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.341 -1.475 . . . . 0.0 111.277 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -65.35 -56.0 15.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 111.628 -176.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 74' ' ' PHE . 26.9 m -73.52 -22.11 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.263 -0.898 . . . . 0.0 111.057 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -62.93 -50.4 71.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.027 -1.045 . . . . 0.0 109.0 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.1 91.89 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.56 -0.713 . . . . 0.0 111.591 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.46 -50.04 75.16 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.652 -1.28 . . . . 0.0 111.305 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.0 m -64.15 -40.02 95.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.011 -1.055 . . . . 0.0 111.056 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.93 -44.03 93.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.288 -0.883 . . . . 0.0 109.721 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.6 82.81 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.075 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.3 m -59.92 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -59.94 -40.08 87.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.838 -1.164 . . . . 0.0 109.187 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.86 -20.96 61.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.147 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 109.307 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -68.74 -28.27 66.66 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -75.99 -11.89 60.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.455 -0.778 . . . . 0.0 110.092 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -38.2 82.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.005 . . . . 0.0 109.448 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.98 -39.97 87.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.302 -1.477 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.473 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.541 2.576 . . . . 0.0 119.541 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.437 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.1 p -106.16 21.21 17.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -1.127 . . . . 0.0 109.454 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.92 -48.36 82.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -73.01 -38.4 66.61 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.59 -40.04 94.81 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.437 ' N ' ' O ' ' B' ' 2' ' ' SER . 20.7 m -64.16 -23.05 67.18 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -66.32 -39.79 89.49 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.531 -0.73 . . . . 0.0 110.16 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtm -79.45 -33.12 42.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.405 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.4 pt-20 -70.61 -33.82 71.45 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 110.48 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.605 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.9 t -76.98 -43.96 32.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.495 -0.753 . . . . 0.0 111.786 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -73.43 -27.48 61.46 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.236 -1.54 . . . . 0.0 109.447 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.41 -37.74 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.044 -1.035 . . . . 0.0 109.964 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.1 m-20 -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.0 0.905 . . . . 0.0 109.936 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.22 -28.84 26.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 24.5 t80 -63.91 -40.04 95.58 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.485 ' CE1' ' CE ' ' B' ' 25' ' ' LYS . 48.6 t60 -81.21 -13.08 58.93 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.63 -37.57 56.12 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.043 -1.036 . . . . 0.0 109.918 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' B' ' 20' ' ' GLY . 73.4 m80 -119.68 5.32 11.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.558 ' HB3' ' HZ2' ' B' ' 25' ' ' LYS . 1.2 t -54.03 -8.91 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.097 -1.002 . . . . 0.0 109.393 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 18' ' ' HIS . . . 117.96 38.95 0.78 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -57.95 -17.96 20.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' B' ' 20' ' ' GLY . 12.4 pt-20 -90.68 -0.06 57.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.453 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' B' ' 20' ' ' GLY . . . 154.78 162.14 11.01 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.0 t0 49.98 39.42 18.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.964 -1.315 . . . . 0.0 107.792 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.558 ' HZ2' ' HB3' ' B' ' 19' ' ' SER . 51.4 tptt -79.67 -10.03 59.73 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.593 0.711 . . . . 0.0 109.623 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -81.63 -10.09 59.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 108.986 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -156.92 158.08 36.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.395 -0.815 . . . . 0.0 108.982 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -78.37 162.63 26.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 16.8 t -136.38 165.85 24.83 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.837 -1.164 . . . . 0.0 110.537 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.716 -0.615 . . . . 0.0 111.693 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -30.69 49.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.542 -1.349 . . . . 0.0 110.081 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 29' ' ' SER . 79.3 mt-10 -62.62 -48.38 79.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.456 -0.777 . . . . 0.0 110.488 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.2 pp -72.37 -34.17 67.76 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.465 -0.772 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.11 -37.06 78.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 108.617 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.557 ' O ' HG23 ' B' ' 39' ' ' THR . 29.1 t0 -64.43 -39.55 94.05 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.692 0.758 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' B' ' 18' ' ' HIS . 89.9 mt -65.51 -40.03 92.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' B' ' 42' ' ' SER . 33.4 mt -74.62 -43.8 53.71 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.851 -1.156 . . . . 0.0 111.277 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.77 -20.9 63.47 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.329 -0.857 . . . . 0.0 109.434 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.3 p -79.96 -58.03 3.36 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.219 -0.926 . . . . 0.0 111.95 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.6 mt-10 -112.32 -29.48 7.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.069 -1.02 . . . . 0.0 112.373 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.95 25.46 11.76 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 121.005 -1.06 . . . . 0.0 110.489 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 37' ' ' LEU . 10.0 p -60.02 -40.07 88.02 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.981 . . . . 0.0 111.402 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -67.99 -39.98 83.14 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.969 -1.082 . . . . 0.0 111.844 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -78.65 -68.55 0.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.806 -1.183 . . . . 0.0 109.87 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.1 97.7 7.67 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' CE ' ' B' ' 49' ' ' LYS . 77.6 m-20 -59.45 134.11 56.71 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 118.502 -1.279 . . . . 0.0 107.582 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.3 -38.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.97 -1.081 . . . . 0.0 109.946 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -66.89 -59.22 3.71 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.865 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.406 ' CE ' ' CG ' ' B' ' 46' ' ' ASP . 33.9 pttt -65.33 -42.78 92.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.662 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.5 m-20 -98.78 72.68 1.98 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.544 -1.348 . . . . 0.0 109.329 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -52.92 -19.5 2.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.755 -1.216 . . . . 0.0 107.887 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -73.62 -26.83 60.97 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.34 -38.73 87.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.699 -0.626 . . . . 0.0 109.34 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -76.56 -25.51 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.371 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.38 -39.88 74.28 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.614 -1.304 . . . . 0.0 108.417 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -70.0 -38.32 75.92 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.886 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.82 65.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mmm -70.72 -32.91 70.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.127 0.965 . . . . 0.0 108.8 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -60.01 -45.75 91.73 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.672 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.11 -39.32 68.97 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.928 0.87 . . . . 0.0 108.957 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.02 -79.81 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.619 0.723 . . . . 0.0 109.384 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 63.3 t0 -77.7 60.91 2.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.42 -13.71 1.59 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' B' ' 62' ' ' ASP . 59.9 t30 -79.22 -15.83 57.44 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.2 27.2 73.98 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 2.6 p30 -87.0 -5.35 59.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.047 -1.266 . . . . 0.0 109.998 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.68 1.08 65.32 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 40.4 mt-10 -128.12 145.72 50.92 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.405 -1.056 . . . . 0.0 108.643 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -114.1 149.99 16.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-O 121.574 0.702 . . . . 0.0 110.456 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -93.83 20.05 8.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 56.3 t80 66.72 -44.88 0.44 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 122.237 -0.289 . . . . 0.0 111.188 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.58 -38.71 92.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.387 -1.446 . . . . 0.0 109.2 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.781 -1.199 . . . . 0.0 108.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.781 ' O ' HG22 ' B' ' 78' ' ' VAL . 33.9 t80 -67.64 -39.92 84.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -177.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 2.8 p -69.54 -40.98 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.585 -1.322 . . . . 0.0 112.375 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' A' ' 76' ' ' VAL . 72.9 t -69.45 -40.0 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.683 -1.261 . . . . 0.0 111.227 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.64 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -65.58 -56.11 14.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.171 -0.956 . . . . 0.0 111.794 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.781 HG22 ' O ' ' B' ' 74' ' ' PHE . 27.3 m -73.49 -22.18 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.26 -0.9 . . . . 0.0 111.031 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -62.8 -50.6 70.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 108.957 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.0 91.81 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.466 -0.772 . . . . 0.0 111.626 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.27 -50.02 75.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.632 -1.292 . . . . 0.0 111.389 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.0 m -64.16 -40.14 95.49 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 110.865 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.8 t -60.03 -43.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.33 -0.856 . . . . 0.0 109.707 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.33 83.01 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.644 -0.66 . . . . 0.0 109.938 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.005 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -60.04 -40.08 88.13 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.785 -1.197 . . . . 0.0 109.066 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.08 -20.89 61.59 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.188 -0.945 . . . . 0.0 109.228 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.35 -39.94 88.92 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.461 -0.774 . . . . 0.0 109.303 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -68.88 -28.06 66.36 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.21 -11.68 59.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 110.082 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -38.38 82.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.074 -1.016 . . . . 0.0 109.49 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.91 -40.0 87.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.526 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.592 ' HA3' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.965 0 N-CA-C 118.678 2.231 . . . . 0.0 118.678 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 3' ' ' GLU . 28.9 t -106.52 -85.8 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.193 -1.18 . . . . 0.0 110.85 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 12.4 mm-40 -101.64 -58.01 1.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.609 0.718 . . . . 0.0 112.187 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.3 88.9 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.81 -177.386 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.592 ' OE1' ' HA3' ' A' ' 1' ' ' GLY . 59.0 tt0 -64.91 -40.03 94.43 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.671 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.6 m -62.93 -21.76 66.28 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.66 -35.33 75.07 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.654 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtt -81.54 -34.7 30.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.796 -1.19 . . . . 0.0 110.152 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.11 -28.11 65.13 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 122.495 1.141 . . . . 0.0 108.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -69.72 -58.0 4.44 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.625 -177.501 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.37 -26.98 63.03 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.117 -178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.95 -38.64 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.797 -1.189 . . . . 0.0 109.673 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -70.69 -40.01 73.15 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.878 0.847 . . . . 0.0 110.019 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -29.22 29.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 16.2 t80 -64.3 -40.05 95.16 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -87.84 -6.72 57.97 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.56 28.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.841 -1.162 . . . . 0.0 110.124 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -109.25 -30.18 8.13 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.355 -0.841 . . . . 0.0 111.083 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 96.6 p -60.93 -17.03 48.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.074 -1.016 . . . . 0.0 110.987 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.54 21.43 3.42 Favored Glycine 0 N--CA 1.502 3.043 0 O-C-N 120.947 -1.096 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -72.44 -27.37 62.28 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.155 -1.203 . . . . 0.0 108.199 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 98.9 mt-10 -108.28 -24.95 11.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.778 -0.576 . . . . 0.0 111.06 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.13 -162.52 21.89 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 49.9 37.89 14.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.011 -1.288 . . . . 0.0 108.28 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -81.17 6.01 15.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.726 -0.609 . . . . 0.0 110.317 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -71.05 -18.48 62.56 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -158.3 160.33 36.9 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 28' ' ' LEU . 33.2 tp -82.15 168.69 17.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.638 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 24.9 m -137.46 166.58 23.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.873 -1.142 . . . . 0.0 110.264 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.382 -0.824 . . . . 0.0 111.936 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -74.98 -29.97 61.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.457 -1.402 . . . . 0.0 110.579 -177.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 29' ' ' SER . 47.7 mt-10 -64.7 -51.01 64.68 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.221 -0.925 . . . . 0.0 111.476 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.472 -0.767 . . . . 0.0 111.705 -178.666 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -60.68 -40.07 90.8 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 109.81 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.895 ' O ' HG22 ' A' ' 39' ' ' THR . 57.6 t0 -63.14 -40.03 96.4 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.168 -0.957 . . . . 0.0 109.596 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.89 -39.71 86.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.67 . . . . 0.0 111.009 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.485 -1.385 . . . . 0.0 110.385 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 35' ' ' ASP . 31.5 mt-30 -63.18 -38.97 93.28 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.268 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -75.02 -49.77 18.72 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.384 -1.447 . . . . 0.0 113.208 -177.047 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.554 ' C ' HD12 ' A' ' 41' ' ' LEU . 14.9 mt-10 -109.36 -28.55 8.9 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.624 -1.298 . . . . 0.0 113.153 -176.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.1 mp -111.25 25.6 11.56 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.786 -1.196 . . . . 0.0 111.387 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 p -60.13 -47.31 86.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.519 -1.363 . . . . 0.0 111.407 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.5 m -62.84 -40.08 96.32 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.886 -1.134 . . . . 0.0 111.318 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -79.49 -69.98 0.54 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.679 -1.263 . . . . 0.0 110.228 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 45' ' ' LEU . 11.1 mp -82.85 96.27 8.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.97 98.0 0.05 Allowed 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.386 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.05 -18.21 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -79.88 -70.02 0.54 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 112.928 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.468 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -57.61 -47.15 82.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.892 -1.13 . . . . 0.0 110.297 -176.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ALA . 95.7 m-20 -94.71 76.63 3.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.462 -1.399 . . . . 0.0 109.075 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.54 -23.64 41.43 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -66.06 -35.46 80.6 Favored 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -55.31 -27.44 46.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -79.52 -28.06 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.029 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.66 -40.01 73.27 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.755 -1.216 . . . . 0.0 108.04 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 2.9 mptp? -67.89 -40.34 83.52 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.94 0.876 . . . . 0.0 109.937 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.37 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.2 mmm -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.623 0.725 . . . . 0.0 110.148 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -59.99 -39.92 87.4 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -64.65 -39.0 92.93 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 74' ' ' PHE . 6.6 mp -78.04 -67.66 0.71 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.527 -0.733 . . . . 0.0 109.38 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.1 m-20 -80.9 40.58 0.54 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.371 -0.831 . . . . 0.0 109.195 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.7 -19.64 1.7 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 19.6 m120 -85.26 -3.0 58.67 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.713 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.14 32.05 65.98 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' A' ' 68' ' ' GLU . 7.3 m-20 -80.74 -18.11 48.81 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.152 -1.205 . . . . 0.0 110.177 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 -3.51 2.43 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.389 -1.884 . . . . 0.0 108.389 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.4 mt-10 -130.51 150.02 51.92 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 t -119.98 149.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.757 0.789 . . . . 0.0 111.739 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.5 m-20 -88.99 17.78 5.46 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 78.1 t80 62.92 -37.66 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.235 -0.291 . . . . 0.0 110.47 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.4 mt-30 -67.43 -38.88 85.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.646 -1.284 . . . . 0.0 108.239 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.19 -40.02 88.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 109.074 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.5 t80 -64.82 -47.14 79.09 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.539 -0.725 . . . . 0.0 112.829 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -60.08 -39.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.815 -1.178 . . . . 0.0 111.594 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.22 -39.93 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.527 -1.358 . . . . 0.0 111.123 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.27 -57.18 9.1 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.873 -1.142 . . . . 0.0 111.645 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 74' ' ' PHE . 3.6 m -73.54 -22.45 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.033 -1.042 . . . . 0.0 111.311 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.68 -48.27 72.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.776 -1.202 . . . . 0.0 109.188 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -39.89 75.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 111.461 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD23 ' A' ' 81' ' ' LEU . 8.3 tt -61.41 -51.2 69.76 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.922 -1.111 . . . . 0.0 111.072 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.9 t -63.02 -39.15 93.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.056 -1.027 . . . . 0.0 110.547 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 79' ' ' ALA . 56.1 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.067 -1.02 . . . . 0.0 109.608 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.468 -0.77 . . . . 0.0 111.439 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.2 p -65.2 -40.04 93.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.756 -1.215 . . . . 0.0 109.435 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.517 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 t30 -60.32 -39.88 88.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.492 -0.755 . . . . 0.0 110.402 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 53.4 t-20 -67.55 -36.61 81.3 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 109.017 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.89 -40.38 88.55 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.601 -0.687 . . . . 0.0 110.635 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -84.57 9.56 13.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.426 -0.797 . . . . 0.0 109.995 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 0.4 OUTLIER -67.89 -16.12 63.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.981 -1.074 . . . . 0.0 109.698 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 90' ' ' TRP . 98.9 mt-10 -60.6 -40.1 90.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.135 -0.978 . . . . 0.0 109.368 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -60.41 -39.96 89.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.211 -0.931 . . . . 0.0 108.639 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.389 -179.564 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.609 ' HA3' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.819 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' OE2' ' B' ' 3' ' ' GLU . 29.4 t -106.53 -86.02 0.49 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.163 . . . . 0.0 110.911 -178.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.406 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 12.5 mm-40 -101.49 -57.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.552 0.691 . . . . 0.0 112.161 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -60.04 -40.51 89.62 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.562 -0.711 . . . . 0.0 109.721 -177.433 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.609 ' OE1' ' HA3' ' B' ' 1' ' ' GLY . 61.2 tt0 -64.91 -39.97 94.35 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.769 -1.172 . . . . 0.0 108.677 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . 20.8 m -62.88 -21.64 66.14 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -70.07 -35.2 74.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.603 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.6 mtt -81.6 -34.27 31.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.672 -1.268 . . . . 0.0 110.102 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.29 -28.16 64.98 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 122.481 1.134 . . . . 0.0 108.069 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -69.62 -58.39 3.99 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.739 -177.57 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.99 -26.58 63.2 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.015 -1.053 . . . . 0.0 111.023 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -71.67 -37.76 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.769 -1.207 . . . . 0.0 109.771 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.39 -40.04 70.79 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.908 0.861 . . . . 0.0 109.954 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -28.75 27.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 16.5 t80 -64.47 -40.03 94.93 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.2 -5.94 58.12 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.62 26.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.87 -1.143 . . . . 0.0 110.054 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.0 -30.3 8.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.233 -0.917 . . . . 0.0 111.046 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 94.0 p -60.68 -17.49 48.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.06 -1.025 . . . . 0.0 110.979 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.21 21.48 3.48 Favored Glycine 0 N--CA 1.503 3.102 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.436 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -72.3 -27.41 62.43 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.192 -1.181 . . . . 0.0 108.28 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.46 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 98.7 mt-10 -108.31 -24.85 11.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.79 -0.568 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.8 -162.65 21.64 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 108.315 -1.914 . . . . 0.0 108.315 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 49.99 37.74 14.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.026 -1.279 . . . . 0.0 108.247 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -81.08 5.84 15.43 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.84 -18.91 62.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -158.08 160.07 36.97 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' B' ' 29' ' ' SER . 34.6 tp -82.16 168.73 17.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.803 -1.185 . . . . 0.0 108.548 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.546 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 31.0 m -137.27 166.65 23.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.822 -1.173 . . . . 0.0 110.273 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -59.99 -40.05 87.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.454 -0.779 . . . . 0.0 111.845 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.46 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -75.0 -29.61 60.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.562 -1.336 . . . . 0.0 110.718 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 29' ' ' SER . 47.7 mt-10 -64.95 -50.95 64.41 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.266 -0.896 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.06 -35.04 76.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.584 -0.698 . . . . 0.0 111.704 -178.659 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -60.8 -40.46 92.73 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 120.864 -1.147 . . . . 0.0 109.737 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.905 ' O ' HG22 ' B' ' 39' ' ' THR . 58.6 t0 -62.74 -40.06 96.05 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.08 -1.013 . . . . 0.0 109.681 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.529 -0.732 . . . . 0.0 111.003 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.0 -40.04 63.21 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 120.531 -1.356 . . . . 0.0 110.383 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' B' ' 35' ' ' ASP . 31.4 mt-30 -63.09 -39.3 94.31 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.293 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.905 HG22 ' O ' ' B' ' 35' ' ' ASP . 0.0 OUTLIER -74.79 -49.57 20.33 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.336 -1.477 . . . . 0.0 113.264 -177.156 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.6 mt-10 -109.12 -29.01 8.75 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.581 -1.324 . . . . 0.0 113.275 -176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.0 mp -111.25 25.84 11.3 Favored 'General case' 0 N--CA 1.52 3.066 0 O-C-N 120.728 -1.232 . . . . 0.0 111.393 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p -59.95 -47.8 84.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.553 -1.342 . . . . 0.0 111.415 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.826 -1.171 . . . . 0.0 111.479 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -79.63 -70.04 0.54 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.843 -1.16 . . . . 0.0 110.301 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.505 HD12 ' N ' ' B' ' 45' ' ' LEU . 11.2 mp -83.1 96.78 8.49 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.48 98.12 0.06 Allowed 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.6 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -115.12 -17.95 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -80.08 -69.98 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.013 -1.054 . . . . 0.0 113.012 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.49 -47.05 82.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.033 . . . . 0.0 110.341 -177.065 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.0 m-20 -94.74 76.16 3.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.468 -1.395 . . . . 0.0 109.109 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.1 -23.98 37.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.03 -35.41 80.47 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -55.59 -26.74 45.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -80.02 -27.81 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 110.263 -179.58 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -70.78 -40.04 72.83 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.781 -1.199 . . . . 0.0 108.04 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 2.7 mptp? -67.88 -40.61 83.51 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 122.005 0.907 . . . . 0.0 109.842 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -39.45 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.41 -28.57 62.07 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.575 -0.703 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -59.97 -40.02 87.65 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.41 -39.86 94.66 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 74' ' ' PHE . 6.6 mp -77.36 -67.68 0.69 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.54 -0.725 . . . . 0.0 109.574 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 93.2 m-20 -81.01 40.92 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.307 -0.871 . . . . 0.0 109.145 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -51.93 -19.44 1.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' B' ' 62' ' ' ASP . 20.0 m120 -85.45 -2.94 58.65 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.751 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.96 32.2 66.38 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 7.9 m-20 -80.84 -18.35 47.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -1.17 . . . . 0.0 110.134 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.22 -3.06 2.56 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.6 mt-10 -130.66 150.01 52.04 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 t -120.05 149.53 22.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-O 121.775 0.798 . . . . 0.0 111.747 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' GLN . 50.6 m-20 -88.7 17.59 5.4 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.63 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 78.3 t80 63.16 -37.71 0.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 122.168 -0.332 . . . . 0.0 110.515 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-30 -67.37 -38.94 85.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.564 -1.335 . . . . 0.0 108.196 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.24 -40.11 89.09 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.968 -1.083 . . . . 0.0 109.101 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.8 t80 -64.49 -47.49 78.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.39 -0.819 . . . . 0.0 112.846 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.9 p -59.99 -39.99 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 111.473 -176.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -40.09 80.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.275 . . . . 0.0 111.306 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.75 -57.43 8.03 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.832 -1.168 . . . . 0.0 111.609 -177.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.6 m -72.91 -22.5 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.065 -1.022 . . . . 0.0 111.348 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -66.19 -47.38 74.11 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.732 -1.23 . . . . 0.0 109.321 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.66 72.73 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 111.221 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 81' ' ' LEU . 8.3 tt -61.19 -51.71 67.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.943 -1.098 . . . . 0.0 111.066 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 83' ' ' VAL . 13.5 t -62.36 -39.61 93.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.914 -1.117 . . . . 0.0 110.423 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 51.5 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.128 -0.982 . . . . 0.0 109.551 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.46 89.53 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.415 -0.803 . . . . 0.0 111.24 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.0 p -64.72 -39.98 94.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.65 -1.281 . . . . 0.0 109.483 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 t30 -60.58 -40.04 90.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.352 -0.843 . . . . 0.0 110.471 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 53.3 t-20 -67.24 -36.85 82.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.159 -0.963 . . . . 0.0 109.105 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.0 -40.12 88.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.659 . . . . 0.0 110.623 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -84.63 9.91 12.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.025 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.531 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 0.4 OUTLIER -68.36 -16.09 63.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.44 ' N ' ' CD1' ' B' ' 90' ' ' TRP . 99.5 mt-10 -60.46 -40.04 89.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.361 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.38 -39.89 88.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 0.0 108.678 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.271 -179.704 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.77 0 N-CA-C 119.706 2.643 . . . . 0.0 119.706 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.3 p -103.37 24.79 10.45 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.269 -1.136 . . . . 0.0 108.918 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.76 -48.93 79.58 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.283 -0.885 . . . . 0.0 109.501 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -73.35 -39.97 64.79 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -63.07 -22.76 67.08 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -68.01 -39.73 83.11 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.369 -0.832 . . . . 0.0 109.779 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.51 -35.81 53.12 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.703 -1.248 . . . . 0.0 110.853 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.35 -32.77 70.61 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.285 -0.884 . . . . 0.0 110.834 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 7' ' ' ALA . 11.7 t -76.82 -45.53 28.27 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.233 -0.917 . . . . 0.0 111.736 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -71.28 -27.02 63.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.311 -1.493 . . . . 0.0 109.425 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.422 HD13 HD22 ' B' ' 86' ' ' ASN . 82.0 mt -74.47 -35.27 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.849 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.47 -42.84 70.88 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.992 0.901 . . . . 0.0 109.946 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.94 -32.94 53.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 64.3 t80 -60.92 -40.01 91.53 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -85.11 -11.49 55.05 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.94 57.66 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.171 -0.955 . . . . 0.0 109.781 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 58.2 t-80 -101.19 -36.48 8.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.267 -0.895 . . . . 0.0 110.907 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 m -55.65 -30.82 61.66 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.165 -0.959 . . . . 0.0 110.282 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.75 2.59 70.01 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -81.53 -26.26 35.23 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.496 -1.002 . . . . 0.0 109.749 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -96.95 -4.95 39.04 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.293 -0.879 . . . . 0.0 111.313 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 92.48 -12.38 69.87 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -87.03 37.82 0.78 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' GLY . 26.9 ttpt -56.12 -12.32 1.47 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.127 -178.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 64.2 t80 -88.26 -12.27 44.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.781 -1.199 . . . . 0.0 109.642 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.41 162.59 30.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.5 tp -81.97 162.65 22.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.849 -1.157 . . . . 0.0 108.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 7.4 m -131.9 163.81 27.48 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.163 -0.961 . . . . 0.0 109.11 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.933 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.71 -34.68 62.63 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.717 -1.24 . . . . 0.0 110.388 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 92.1 mt-10 -60.12 -49.67 76.74 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.466 -0.771 . . . . 0.0 111.193 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -68.06 -30.76 70.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.911 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.99 -39.96 93.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.834 -1.166 . . . . 0.0 109.473 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 92.4 m-20 -63.73 -40.07 95.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.371 -0.83 . . . . 0.0 110.298 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.87 -40.01 94.46 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.176 -0.953 . . . . 0.0 111.145 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' SER . 17.9 mt -73.85 -42.53 60.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.786 -1.197 . . . . 0.0 111.445 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -72.53 -16.95 61.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.401 -0.812 . . . . 0.0 109.617 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.9 p -84.37 -57.01 3.33 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.079 -1.013 . . . . 0.0 111.154 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 13.2 mt-10 -110.35 -29.9 7.92 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.054 -1.029 . . . . 0.0 112.395 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.27 24.54 12.86 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.883 -1.135 . . . . 0.0 109.838 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' LEU . 3.7 p -60.06 -45.67 92.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.9 m -63.18 -41.82 99.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.851 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -70.0 0.55 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.082 -1.011 . . . . 0.0 110.539 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.1 mm? -77.19 87.27 3.64 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -51.85 106.16 0.14 Allowed 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.06 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.9 -19.87 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.517 -0.74 . . . . 0.0 109.734 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.31 -60.84 1.96 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.98 . . . . 0.0 112.142 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.97 -46.65 88.74 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.918 -1.114 . . . . 0.0 110.105 -177.312 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 88.0 m-20 -97.42 77.25 2.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.469 -1.395 . . . . 0.0 109.697 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.62 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.35 -19.41 14.44 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.67 -27.63 61.34 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.74 -32.79 73.05 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.498 -0.751 . . . . 0.0 109.679 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.4 p -79.83 -29.56 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 119.212 -0.995 . . . . 0.0 109.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.71 -40.08 94.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.724 -1.235 . . . . 0.0 108.057 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.48 -39.93 73.93 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.508 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 61' ' ' LEU . 5.1 ppp? -81.99 -32.87 30.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.667 -1.27 . . . . 0.0 110.101 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' ' SD ' ' A' ' 58' ' ' MET . 36.1 ttpt -60.08 -43.83 95.2 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.069 -1.019 . . . . 0.0 111.022 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.94 -40.02 87.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.81 . . . . 0.0 111.805 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.021 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -94.44 -22.66 18.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.873 -1.142 . . . . 0.0 110.342 -178.262 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 1.021 ' N ' HD23 ' A' ' 61' ' ' LEU . 27.3 t70 -83.38 46.26 1.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.81 -1.181 . . . . 0.0 108.473 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.97 -13.83 3.05 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -75.57 -4.0 37.44 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.9 23.41 1.04 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 28.0 p-10 -90.22 1.35 56.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -1.001 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.78 10.14 7.97 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.7 mt-10 -130.73 146.58 52.23 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 71' ' ' PHE . 23.7 t -115.69 137.32 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 CA-C-O 121.754 0.788 . . . . 0.0 110.319 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.2 m-20 -78.28 15.11 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 40.3 t80 62.07 -43.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 95.9 mt-30 -60.1 -39.88 87.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.266 -1.521 . . . . 0.0 108.026 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 61' ' ' LEU . 75.7 mt-10 -60.19 -39.94 88.3 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -60.15 -44.51 94.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.72 -0.612 . . . . 0.0 111.486 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.99 -40.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.73 -1.231 . . . . 0.0 110.987 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.35 -39.95 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.111 -1.618 . . . . 0.0 111.216 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -57.68 4.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.992 -1.068 . . . . 0.0 112.789 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.77 HG21 ' CE2' ' A' ' 74' ' ' PHE . 24.0 m -77.96 -25.01 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.384 -0.822 . . . . 0.0 112.45 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.04 73.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.288 -1.507 . . . . 0.0 109.093 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.206 -0.934 . . . . 0.0 111.003 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -65.15 -49.13 71.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.963 -1.085 . . . . 0.0 110.745 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.8 t -67.31 -40.01 85.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.835 -1.165 . . . . 0.0 111.668 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' N ' HG23 ' A' ' 82' ' ' THR . 55.3 t -63.31 -47.03 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 110.186 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.12 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.796 -0.565 . . . . 0.0 110.187 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.98 -40.01 95.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 111.239 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.414 HD22 HD13 ' B' ' 12' ' ' ILE . 50.5 t-20 -60.08 -47.83 84.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.006 -1.059 . . . . 0.0 110.996 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 27.4 p30 -81.03 -14.74 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.019 -1.051 . . . . 0.0 110.316 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -88.63 -16.38 32.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.377 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -82.46 -39.49 22.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.034 -1.041 . . . . 0.0 109.716 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -89.48 -17.73 28.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -66.83 -39.99 87.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 108.861 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -82.97 -12.5 57.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.864 . . . . 0.0 109.333 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.603 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.686 2.635 . . . . 0.0 119.686 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 7.3 p -103.51 25.14 10.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.377 -1.072 . . . . 0.0 109.026 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.88 -49.01 79.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.288 -0.883 . . . . 0.0 109.403 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.2 tt -73.2 -39.9 65.19 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.72 -40.0 95.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.1 m -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -67.9 -39.73 83.58 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.443 -0.785 . . . . 0.0 109.836 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.482 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -77.68 -35.74 51.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.733 -1.229 . . . . 0.0 110.815 -179.313 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.52 -32.74 70.32 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.21 -0.931 . . . . 0.0 110.806 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 7' ' ' ALA . 11.5 t -76.72 -45.63 28.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' HG23 ' B' ' 10' ' ' THR . 3.1 pp -71.18 -26.99 63.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.283 -1.511 . . . . 0.0 109.41 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.414 HD13 HD22 ' A' ' 86' ' ' ASN . 81.9 mt -74.66 -35.0 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.949 -1.094 . . . . 0.0 109.925 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -71.09 -42.63 69.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.254 -0.904 . . . . 0.0 109.907 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.99 -32.84 52.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 63.8 t80 -61.01 -40.02 91.97 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -84.9 -11.6 55.25 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.44 -40.06 58.09 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.537 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 58.1 t-80 -100.75 -36.79 8.98 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 110.947 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.1 m -55.65 -30.71 61.47 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.174 -0.954 . . . . 0.0 110.401 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.69 2.42 69.97 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.49 -26.09 35.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.571 -0.958 . . . . 0.0 109.718 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -97.0 -5.02 38.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.249 -0.907 . . . . 0.0 111.222 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 92.55 -12.37 69.93 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -86.93 37.71 0.77 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 23' ' ' GLY . 26.9 ttpt -56.15 -12.29 1.47 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.224 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -88.1 -12.47 44.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.695 -1.253 . . . . 0.0 109.643 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' B' ' 28' ' ' LEU . 3.2 ttpm? -161.35 162.62 30.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.425 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' B' ' 33' ' ' LEU . 35.8 tp -81.88 162.43 22.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.782 -1.199 . . . . 0.0 108.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 6.5 m -131.57 163.91 26.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.066 -1.021 . . . . 0.0 109.077 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.16 87.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.047 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -75.0 -34.37 61.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 110.385 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 92.4 mt-10 -60.37 -49.38 77.81 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.428 -0.795 . . . . 0.0 111.09 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -68.23 -30.86 70.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.391 -0.818 . . . . 0.0 110.894 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.93 -40.01 94.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.768 -1.207 . . . . 0.0 109.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.634 ' O ' HG23 ' B' ' 39' ' ' THR . 92.8 m-20 -63.51 -39.91 95.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 0.0 110.601 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -39.98 92.62 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.2 mt -73.53 -42.88 61.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.696 -1.253 . . . . 0.0 111.499 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -72.42 -16.58 61.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 109.713 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.634 HG23 ' O ' ' B' ' 35' ' ' ASP . 7.0 p -84.76 -56.89 3.35 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.188 -0.945 . . . . 0.0 111.115 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.3 mt-10 -110.33 -29.89 7.93 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.112 -0.992 . . . . 0.0 112.306 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -110.25 24.24 13.25 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.874 -1.141 . . . . 0.0 109.896 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.544 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.9 p -60.01 -45.56 92.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.119 -0.988 . . . . 0.0 111.024 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.1 m -63.28 -41.69 99.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.976 . . . . 0.0 110.983 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 110.418 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.479 ' N ' HD22 ' B' ' 45' ' ' LEU . 4.1 mm? -77.17 87.4 3.63 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.09 105.96 0.13 Allowed 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.113 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -123.53 -19.95 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.46 -0.775 . . . . 0.0 109.773 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.17 -60.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.126 -0.984 . . . . 0.0 112.169 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.03 -46.04 90.83 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.862 -1.149 . . . . 0.0 110.167 -177.338 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.6 m-20 -98.07 76.91 2.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.431 -1.418 . . . . 0.0 109.644 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.608 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -55.99 -19.26 11.86 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -73.95 -27.78 61.18 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.28 -33.44 73.56 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.543 -0.723 . . . . 0.0 109.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.608 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -79.57 -29.45 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.949 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.757 -1.215 . . . . 0.0 108.118 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.59 -40.02 73.49 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.868 -0.52 . . . . 0.0 110.681 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.508 ' HA ' HD22 ' B' ' 61' ' ' LEU . 5.1 ppp? -81.87 -32.93 30.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.0 110.084 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.464 ' N ' ' SD ' ' B' ' 58' ' ' MET . 36.1 ttpt -60.03 -43.87 95.03 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.106 -0.997 . . . . 0.0 110.944 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.07 -39.95 86.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.473 -0.767 . . . . 0.0 111.793 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 1.017 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -94.39 -22.55 18.24 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.869 -1.145 . . . . 0.0 110.366 -178.293 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 1.017 ' N ' HD23 ' B' ' 61' ' ' LEU . 27.4 t70 -83.44 46.59 1.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.828 -1.17 . . . . 0.0 108.385 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.37 -13.59 3.62 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 66' ' ' ASP . 54.6 t-20 -75.75 -4.33 39.85 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.41 22.99 1.13 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 28.0 p-10 -89.94 1.08 56.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.532 -0.981 . . . . 0.0 110.422 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.03 9.96 8.26 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.7 mt-10 -130.61 146.67 52.17 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.527 HG12 ' H ' ' B' ' 71' ' ' PHE . 25.7 t -115.82 137.25 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 CA-C-O 121.68 0.753 . . . . 0.0 110.229 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.1 m-20 -78.32 15.24 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.597 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 41.0 t80 61.97 -43.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 70' ' ' ASP . 95.8 mt-30 -60.09 -39.85 87.56 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.304 -1.498 . . . . 0.0 108.145 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.41 ' C ' HD12 ' B' ' 61' ' ' LEU . 75.4 mt-10 -60.17 -40.01 88.47 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 108.62 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.791 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.0 t80 -59.92 -44.67 94.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.666 -0.646 . . . . 0.0 111.644 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -39.91 81.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 120.659 -1.276 . . . . 0.0 110.871 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 120.406 -1.434 . . . . 0.0 111.071 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -57.9 4.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.967 -1.083 . . . . 0.0 112.915 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.791 HG21 ' CE2' ' B' ' 74' ' ' PHE . 26.6 m -77.85 -24.91 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 0.0 112.402 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.24 -41.82 73.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.392 -1.442 . . . . 0.0 109.125 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.99 74.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.92 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -65.03 -49.06 71.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.09 -1.006 . . . . 0.0 110.759 -178.269 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.429 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.0 t -67.42 -40.39 85.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.836 -1.165 . . . . 0.0 111.578 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.429 ' N ' HG23 ' B' ' 82' ' ' THR . 55.1 t -62.91 -47.3 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.127 -0.983 . . . . 0.0 110.139 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.1 90.47 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.745 -0.597 . . . . 0.0 110.201 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.99 -39.98 95.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.425 -0.797 . . . . 0.0 111.31 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.422 HD22 HD13 ' A' ' 12' ' ' ILE . 50.1 t-20 -60.06 -47.69 84.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.049 -1.032 . . . . 0.0 111.084 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -81.2 -15.08 56.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.996 -1.065 . . . . 0.0 110.245 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -88.38 -16.28 33.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.307 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -82.57 -39.69 21.93 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.043 -1.036 . . . . 0.0 109.564 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -89.27 -17.97 27.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.29 -0.881 . . . . 0.0 110.488 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.57 -40.05 88.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.607 -1.308 . . . . 0.0 108.852 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -82.74 -12.74 57.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 109.39 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.557 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.736 0 N-CA-C 119.859 2.704 . . . . 0.0 119.859 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -105.16 -83.95 0.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.262 -1.14 . . . . 0.0 109.997 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 9.2 mt-10 -103.23 -58.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.682 . . . . 0.0 111.923 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -60.05 -41.19 91.8 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.189 -0.944 . . . . 0.0 110.007 -178.027 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 65.3 tt0 -65.99 -40.04 90.84 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.557 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 10' ' ' THR . 6.5 m -59.28 -23.06 62.09 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -67.16 -37.66 84.13 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -80.7 -34.76 34.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.783 -1.198 . . . . 0.0 110.617 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' OE1' ' ND2' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -70.01 -31.51 69.22 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.26 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 11' ' ' LEU . 7.4 t -77.79 -50.65 11.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.315 -0.865 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -66.29 -28.52 68.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.317 -1.489 . . . . 0.0 109.176 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -72.35 -34.28 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.47 -1.394 . . . . 0.0 109.858 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' OE1' ' A' ' 9' ' ' GLU . 75.9 m-20 -70.32 -44.18 68.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.539 -0.726 . . . . 0.0 111.02 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -70.84 -31.07 44.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -62.53 -39.93 95.16 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.65 -8.18 58.38 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.3 28.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.503 -0.748 . . . . 0.0 109.705 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 20' ' ' GLY . 97.2 m-70 -113.72 -9.46 13.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.508 -0.745 . . . . 0.0 111.163 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 1.5 t -43.58 -18.1 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.239 -0.913 . . . . 0.0 110.412 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . 139.49 31.29 0.19 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -58.76 -24.81 62.29 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.07 0.02 57.35 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.659 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.79 -106.29 0.19 Allowed Glycine 0 N--CA 1.492 2.397 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.715 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.7 p-10 -79.61 80.33 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.316 -1.108 . . . . 0.0 110.568 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.37 9.03 7.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.85 . . . . 0.0 109.818 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 54.6 t80 -89.79 -9.95 47.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.125 -0.984 . . . . 0.0 109.472 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -158.29 160.04 36.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 108.946 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -80.98 160.65 24.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.984 -1.072 . . . . 0.0 108.908 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -137.62 168.29 19.97 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.794 -1.191 . . . . 0.0 110.331 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.76 -40.02 86.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.457 -0.777 . . . . 0.0 112.415 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.02 -29.04 43.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.189 -1.57 . . . . 0.0 109.751 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 19' ' ' SER . 95.9 mt-10 -67.09 -45.55 76.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 111.022 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.1 pp -69.95 -35.59 74.62 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.298 -0.876 . . . . 0.0 110.46 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 49.4 tttm -60.31 -34.53 73.93 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.052 -1.03 . . . . 0.0 109.229 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 39' ' ' THR . 44.2 t0 -67.65 -41.0 84.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.698 -1.252 . . . . 0.0 109.658 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.12 -43.54 95.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.75 . . . . 0.0 111.718 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -76.92 -40.0 48.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.76 -1.213 . . . . 0.0 110.821 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.5 mt-30 -70.03 -19.98 63.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.757 0.789 . . . . 0.0 109.123 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 35' ' ' ASP . 4.7 p -80.84 -60.44 2.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.361 -0.837 . . . . 0.0 112.071 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.4 mt-10 -111.1 -29.95 7.67 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.947 -1.096 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -109.06 28.5 8.43 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.065 -1.022 . . . . 0.0 110.16 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 37' ' ' LEU . 20.6 p -62.9 -40.81 98.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.114 -0.991 . . . . 0.0 111.506 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -73.6 -38.8 65.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.964 -1.085 . . . . 0.0 112.005 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.98 -63.92 1.25 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.684 -1.26 . . . . 0.0 109.868 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -80.67 99.0 7.95 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.01 132.95 55.52 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.649 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.87 -31.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.082 -1.011 . . . . 0.0 110.081 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.02 -59.98 2.58 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.2 -0.937 . . . . 0.0 111.934 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.63 -41.7 99.17 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.504 -0.748 . . . . 0.0 110.514 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 53' ' ' ALA . 3.9 p30 -101.33 72.6 1.44 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.862 -1.149 . . . . 0.0 109.359 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.16 -22.13 3.97 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.692 -1.255 . . . . 0.0 107.748 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -70.4 -27.23 64.13 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -63.06 -31.1 72.16 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -76.79 -30.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 109.116 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -66.91 -40.04 87.58 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.106 -0.996 . . . . 0.0 108.869 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -70.09 -39.91 75.28 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.056 0.931 . . . . 0.0 110.388 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -40.09 87.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.478 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.468 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 60.7 mtp -76.59 -37.46 56.45 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.078 0.942 . . . . 0.0 111.213 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.0 -34.33 73.19 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 122.839 1.304 . . . . 0.0 108.274 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.01 -49.92 75.77 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.648 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.806 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -110.28 -18.77 13.2 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.196 -0.94 . . . . 0.0 110.832 -178.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 64' ' ' ASN . 10.4 t0 -84.32 26.68 0.75 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' LEU . 44.8 mt-10 -50.08 -8.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.731 -0.606 . . . . 0.0 110.035 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 62' ' ' ASP . 48.8 t-20 -74.51 -5.92 45.48 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.161 -0.962 . . . . 0.0 108.688 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.42 21.47 48.61 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 68' ' ' GLU . 49.4 p-10 -90.17 0.01 57.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -1.015 . . . . 0.0 110.412 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.45 8.43 1.8 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 66' ' ' ASP . 50.9 mt-10 -130.3 139.91 50.69 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 71' ' ' PHE . 20.9 t -110.6 140.05 31.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-O 121.427 0.632 . . . . 0.0 110.375 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLN . 92.6 m-20 -74.27 15.14 0.35 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.418 -0.801 . . . . 0.0 109.729 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 70.1 t80 63.75 -48.17 0.26 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 122.025 -0.422 . . . . 0.0 110.629 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ASP . 62.9 tp60 -60.06 -37.99 81.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 107.835 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.622 ' HB3' HD12 ' A' ' 61' ' ' LEU . 87.6 mt-10 -59.94 -45.51 92.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 108.988 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' O ' HG22 ' A' ' 78' ' ' VAL . 92.1 t80 -60.02 -43.56 95.18 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -59.99 -39.95 81.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 120.704 -1.247 . . . . 0.0 110.235 -177.091 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.89 -40.01 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.59 -1.319 . . . . 0.0 111.663 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.76 -56.62 11.03 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.778 -1.201 . . . . 0.0 112.337 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 74' ' ' PHE . 13.1 m -73.82 -21.52 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.024 -1.048 . . . . 0.0 111.538 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.45 -50.57 58.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.875 -1.141 . . . . 0.0 109.744 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.07 83.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.405 -0.809 . . . . 0.0 111.304 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.42 -49.88 75.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 0.0 110.98 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 ' OG1' HD21 ' A' ' 45' ' ' LEU . 91.0 m -67.52 -40.13 85.08 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.27 -0.894 . . . . 0.0 112.021 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.83 -45.56 98.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.284 -0.885 . . . . 0.0 110.001 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.02 91.26 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.536 -0.727 . . . . 0.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.51 -39.96 89.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.066 -1.021 . . . . 0.0 110.414 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.89 -40.07 96.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.168 -0.958 . . . . 0.0 110.666 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.32 -39.98 94.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.045 -1.034 . . . . 0.0 109.716 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.26 -40.12 96.52 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.118 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -71.47 -40.0 70.55 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.064 -1.023 . . . . 0.0 108.588 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -65.17 -42.52 93.59 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.513 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.65 -39.2 91.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.123 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.5 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.424 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.744 0 N-CA-C 119.73 2.652 . . . . 0.0 119.73 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -105.17 -84.33 0.5 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.365 -1.079 . . . . 0.0 110.018 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 9.8 mt-10 -102.84 -58.16 1.92 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.632 -0.667 . . . . 0.0 111.961 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 1.0 OUTLIER -60.02 -41.25 91.75 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.229 -0.919 . . . . 0.0 110.019 -177.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 64.8 tt0 -65.97 -39.82 90.71 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.977 -1.489 . . . . 0.0 108.575 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.445 ' O ' HG22 ' B' ' 10' ' ' THR . 7.1 m -59.41 -22.98 62.23 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.35 -37.61 83.52 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.404 0.621 . . . . 0.0 110.178 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.0 mmm -80.64 -34.89 34.59 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.808 -1.182 . . . . 0.0 110.589 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.46 ' OE1' ' ND2' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -70.05 -31.19 68.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.164 -0.96 . . . . 0.0 110.268 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.546 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.5 t -78.03 -50.83 11.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.277 -0.889 . . . . 0.0 111.035 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.546 ' N ' HG23 ' B' ' 10' ' ' THR . 2.2 pp -66.09 -28.55 68.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.322 -1.486 . . . . 0.0 109.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.47 -34.17 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.485 -1.385 . . . . 0.0 109.941 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' OE1' ' B' ' 9' ' ' GLU . 76.4 m-20 -70.91 -43.58 68.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.254 -0.904 . . . . 0.0 111.075 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.67 -31.34 45.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 2.0 t80 -62.38 -39.98 94.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -85.75 -7.91 58.47 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.13 -36.51 27.41 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.461 -0.774 . . . . 0.0 109.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 20' ' ' GLY . 97.4 m-70 -113.42 -9.51 13.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.172 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.5 t -43.74 -17.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.19 -0.944 . . . . 0.0 110.317 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 18' ' ' HIS . . . 139.43 31.53 0.19 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -58.95 -24.85 62.96 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.01 0.02 57.34 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.617 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.84 -106.29 0.19 Allowed Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.798 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 29.1 p-10 -79.59 80.65 5.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.21 -1.171 . . . . 0.0 110.491 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -81.51 8.99 8.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.399 -0.813 . . . . 0.0 109.809 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -89.88 -9.96 47.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.037 -1.04 . . . . 0.0 109.514 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.37 160.02 36.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 108.781 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' B' ' 33' ' ' LEU . 37.2 tp -80.97 160.78 24.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.999 -1.063 . . . . 0.0 108.805 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -137.09 169.03 18.46 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.869 -1.144 . . . . 0.0 110.264 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.1 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.669 -0.644 . . . . 0.0 112.514 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -28.88 41.84 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.289 -1.507 . . . . 0.0 109.818 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 19' ' ' SER . 95.9 mt-10 -67.13 -45.62 76.57 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 110.981 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.97 -35.82 74.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.238 -0.914 . . . . 0.0 110.498 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.8 tttm -60.14 -34.49 73.62 Favored 'General case' 0 C--O 1.196 -1.754 0 O-C-N 121.107 -0.996 . . . . 0.0 109.253 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 44.8 t0 -67.76 -40.07 84.08 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.69 -1.256 . . . . 0.0 109.858 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -43.37 98.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.422 -0.799 . . . . 0.0 111.727 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' B' ' 42' ' ' SER . 38.2 mt -76.86 -40.03 49.06 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.809 -1.182 . . . . 0.0 110.764 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.5 mt-30 -70.01 -20.15 63.29 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.635 0.731 . . . . 0.0 109.181 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -80.63 -60.51 2.28 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.51 -0.744 . . . . 0.0 112.047 -178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.4 mt-10 -111.17 -29.9 7.67 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.861 -1.149 . . . . 0.0 111.974 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -109.09 28.05 8.89 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.049 -1.032 . . . . 0.0 110.225 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 37' ' ' LEU . 19.8 p -62.49 -40.79 97.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.159 -0.963 . . . . 0.0 111.577 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -73.59 -38.99 64.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.924 -1.11 . . . . 0.0 111.913 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.99 -63.94 1.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.757 -1.214 . . . . 0.0 109.968 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.598 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.1 mm? -80.69 99.04 7.98 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.0 133.14 55.81 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.617 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -155.81 -31.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.052 -1.03 . . . . 0.0 109.997 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.03 -59.98 2.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.083 -1.01 . . . . 0.0 111.952 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -62.86 -41.08 99.24 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.512 -0.742 . . . . 0.0 110.547 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 53' ' ' ALA . 3.8 p30 -101.56 72.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.756 -1.215 . . . . 0.0 109.433 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.432 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -51.97 -22.14 3.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.62 -1.3 . . . . 0.0 107.792 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' B' ' 50' ' ' ASP . 90.4 m-20 -70.42 -27.34 64.2 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.93 -31.45 72.54 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.432 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -76.44 -31.19 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.931 . . . . 0.0 109.069 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -66.74 -40.02 88.16 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 121.132 -0.98 . . . . 0.0 108.964 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -70.16 -39.92 75.05 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.375 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -39.94 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 62' ' ' ASP . 62.6 mtp -76.41 -37.44 57.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.054 0.93 . . . . 0.0 111.212 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.08 -34.37 73.35 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.796 1.284 . . . . 0.0 108.256 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.99 -49.9 75.85 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.624 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.815 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -110.4 -18.79 13.16 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' B' ' 64' ' ' ASN . 10.5 t0 -84.33 26.42 0.77 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' B' ' 61' ' ' LEU . 45.0 mt-10 -49.84 -8.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.825 -0.547 . . . . 0.0 110.121 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' B' ' 62' ' ' ASP . 48.8 t-20 -74.47 -6.65 49.54 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 108.733 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.96 21.64 52.99 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' B' ' 68' ' ' GLU . 49.8 p-10 -90.28 -0.04 57.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.433 -1.039 . . . . 0.0 110.405 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.56 8.21 1.8 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' B' ' 66' ' ' ASP . 50.3 mt-10 -130.12 139.83 50.86 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -110.46 140.02 31.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.38 0.61 . . . . 0.0 110.522 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 72' ' ' GLN . 92.4 m-20 -74.28 15.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 109.82 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 70.0 t80 63.75 -48.27 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 122.013 -0.429 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 62.3 tp60 -59.98 -38.12 81.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.578 -1.326 . . . . 0.0 107.77 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.626 ' HB3' HD12 ' B' ' 61' ' ' LEU . 87.5 mt-10 -59.94 -45.5 92.42 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 108.931 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.621 ' O ' HG22 ' B' ' 78' ' ' VAL . 91.9 t80 -59.97 -43.71 94.93 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -59.97 -39.97 81.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.512 -1.367 . . . . 0.0 110.223 -177.159 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.59 -40.02 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.9 -1.125 . . . . 0.0 111.648 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.84 -56.76 10.19 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 112.482 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.621 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.4 m -73.86 -21.25 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 111.51 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.61 -50.44 58.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.135 . . . . 0.0 109.734 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.99 82.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 111.273 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.44 -49.9 75.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.812 -1.18 . . . . 0.0 111.123 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.457 ' OG1' HD21 ' B' ' 45' ' ' LEU . 91.0 m -67.28 -41.27 85.73 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 111.776 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.76 -45.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 121.242 -0.911 . . . . 0.0 109.879 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.28 92.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.505 -0.747 . . . . 0.0 110.283 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 81.0 m -60.31 -40.07 89.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 110.398 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.7 -40.01 95.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.934 . . . . 0.0 110.735 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.3 -40.01 95.06 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.125 -0.984 . . . . 0.0 109.713 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -63.46 -40.06 96.12 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.006 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -71.49 -40.0 70.51 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.051 -1.03 . . . . 0.0 108.612 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -65.0 -42.95 94.01 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.484 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.14 -39.47 93.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.158 -0.964 . . . . 0.0 109.144 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.372 -0.83 . . . . 0.0 109.067 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.397 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.014 0 N-CA-C 119.88 2.712 . . . . 0.0 119.88 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 19.0 m -100.29 20.72 14.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.327 -1.101 . . . . 0.0 109.437 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.01 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.261 -0.899 . . . . 0.0 109.282 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.5 tt -71.22 -39.44 71.72 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.06 -39.96 94.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -64.51 -22.6 67.01 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.66 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.42 -38.87 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.227 -0.921 . . . . 0.0 109.466 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.465 ' SD ' HG21 ' B' ' 82' ' ' THR . 62.9 mtm -78.1 -34.27 50.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.827 -1.171 . . . . 0.0 110.641 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 5.6 pt-20 -70.71 -32.95 70.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.962 -1.086 . . . . 0.0 110.654 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.65 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 11.3 t -77.37 -45.14 26.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.248 -0.908 . . . . 0.0 111.903 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 10' ' ' THR . 3.0 pp -70.93 -28.43 64.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.208 -1.558 . . . . 0.0 108.835 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.29 -37.35 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.144 -0.972 . . . . 0.0 109.777 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 15.1 m120 -70.02 -40.09 75.42 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.983 0.897 . . . . 0.0 110.109 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -32.01 42.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.2 t80 -62.99 -39.91 96.16 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.06 -9.62 54.99 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.0 51.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.644 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -103.69 -39.98 6.47 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.428 -0.795 . . . . 0.0 110.44 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 t -65.93 -23.49 66.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.106 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.1 -7.7 67.63 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -71.21 -31.81 68.06 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.762 -0.846 . . . . 0.0 108.728 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' ASP . 98.5 mt-10 -94.18 112.45 24.26 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -31.02 -31.66 0.01 OUTLIER Glycine 0 N--CA 1.502 3.098 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 22' ' ' GLU . 91.8 m-20 -71.41 47.4 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.725 -1.456 . . . . 0.0 107.733 178.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 28.3 mtmm -61.55 6.51 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.854 -0.529 . . . . 0.0 111.078 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ASP . 80.7 m-85 -86.75 -10.07 54.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.512 -1.367 . . . . 0.0 109.785 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.18 161.11 30.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.873 -1.142 . . . . 0.0 110.662 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 29' ' ' SER . 47.3 tp -83.29 166.24 18.68 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.523 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 41.1 t -137.07 164.54 28.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.798 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.294 -0.878 . . . . 0.0 111.199 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -70.53 -35.18 73.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.865 -1.147 . . . . 0.0 109.993 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 29' ' ' SER . 74.0 mt-10 -63.72 -50.08 70.55 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.294 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -66.34 -30.22 70.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.175 -0.953 . . . . 0.0 110.112 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 28.7 tptp -60.6 -39.98 90.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.304 -0.873 . . . . 0.0 109.539 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 39' ' ' THR . 47.2 t0 -68.91 -40.03 79.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.643 -0.661 . . . . 0.0 110.714 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.82 -40.04 91.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.268 -0.895 . . . . 0.0 111.432 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' CB ' HG11 ' A' ' 47' ' ' VAL . 24.7 mt -74.37 -44.09 53.66 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.893 -1.13 . . . . 0.0 111.345 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 13.4 pt20 -69.99 -20.05 63.31 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.396 -0.815 . . . . 0.0 109.389 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.1 p -81.59 -57.1 3.61 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.222 -0.924 . . . . 0.0 112.228 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.0 mt-10 -112.28 -25.83 9.07 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.026 -1.046 . . . . 0.0 112.968 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 4' ' ' LEU . 7.1 mp -109.95 23.65 14.08 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 120.687 -1.258 . . . . 0.0 109.928 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -59.92 -40.39 88.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.123 -0.985 . . . . 0.0 111.164 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.5 p -70.87 -40.94 72.0 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.881 -1.137 . . . . 0.0 111.464 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -78.59 -70.1 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.776 -1.203 . . . . 0.0 110.362 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -82.59 96.41 8.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 14.3 p-10 -59.41 97.85 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.133 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' CB ' ' A' ' 37' ' ' LEU . 1.2 p -111.08 -16.85 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.623 -0.673 . . . . 0.0 109.618 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.89 -60.05 2.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.0 -1.063 . . . . 0.0 112.389 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.96 -46.51 89.18 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.937 -1.102 . . . . 0.0 109.995 -177.339 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' ALA . 87.5 m-20 -99.15 78.46 2.24 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.626 -1.296 . . . . 0.0 109.718 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.43 -19.9 17.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 53.5 t0 -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.76 -34.41 78.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -78.18 -26.64 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.904 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -69.97 -37.67 75.86 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.706 -1.246 . . . . 0.0 108.034 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 122.171 0.986 . . . . 0.0 109.494 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -37.55 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.29 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.514 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 10.6 mmm -75.44 -33.07 60.87 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.776 0.798 . . . . 0.0 110.451 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.52 -40.01 85.09 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 122.46 1.124 . . . . 0.0 109.995 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -62.47 -40.39 96.5 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.908 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD23 ' H ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -103.73 -28.56 11.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.115 -0.991 . . . . 0.0 110.705 -178.323 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.667 ' H ' HD23 ' A' ' 61' ' ' LEU . 25.0 t0 -84.3 31.85 0.51 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.9 tt0 -49.71 -19.32 0.6 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.604 0.716 . . . . 0.0 109.2 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' ASP . 48.1 t30 -72.62 -12.23 60.96 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.54 38.21 94.49 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 68' ' ' GLU . 1.2 m-20 -93.43 -9.15 39.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.993 -1.298 . . . . 0.0 110.137 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 0.93 9.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 106.768 -2.533 . . . . 0.0 106.768 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.5 mt-10 -130.06 146.54 51.73 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.514 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 16.8 t -115.78 136.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-O 121.472 0.653 . . . . 0.0 110.787 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLN . 90.9 m-20 -72.23 16.84 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.658 -0.651 . . . . 0.0 109.459 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 68.6 t80 62.59 -48.67 0.18 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 122.01 -0.431 . . . . 0.0 110.621 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' ASP . 64.0 tt0 -60.06 -38.53 83.12 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.615 -1.303 . . . . 0.0 107.816 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 61' ' ' LEU . 95.0 mt-10 -59.97 -39.98 87.51 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 76.2 t80 -62.14 -45.52 93.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.605 -0.684 . . . . 0.0 112.603 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.3 p -60.02 -39.52 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 120.591 -1.318 . . . . 0.0 110.771 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.85 -39.95 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.497 -1.377 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.98 -56.31 12.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.787 -1.196 . . . . 0.0 112.438 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 5.1 m -75.2 -21.77 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.174 -0.954 . . . . 0.0 111.566 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.55 -48.3 67.37 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.667 -1.27 . . . . 0.0 109.148 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.66 75.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.316 -0.865 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.85 -55.13 33.08 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.913 -1.117 . . . . 0.0 110.758 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.477 HG21 ' SD ' ' B' ' 8' ' ' MET . 94.3 m -64.58 -39.99 94.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.946 -1.096 . . . . 0.0 111.749 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.2 t -60.01 -41.57 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.946 -1.096 . . . . 0.0 109.564 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.97 84.45 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.423 -0.798 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.03 -39.93 87.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.861 . . . . 0.0 109.795 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.973 . . . . 0.0 110.406 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.93 -40.2 88.07 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.932 -1.105 . . . . 0.0 108.851 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.27 -39.9 92.09 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.838 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.4 -37.0 85.66 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.1 -39.72 94.66 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.57 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.85 -39.42 85.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 0.0 109.242 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 28.5 m120 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.86 . . . . 0.0 108.777 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.584 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.833 2.693 . . . . 0.0 119.833 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 6' ' ' THR . 14.7 m -100.14 20.3 14.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.263 -1.14 . . . . 0.0 109.448 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 3' ' ' GLU . 65.5 mt-10 -60.09 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.97 -39.7 72.38 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.94 -39.97 93.93 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.444 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.0 m -64.53 -22.41 66.96 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.65 -38.67 84.16 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 109.425 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.477 ' SD ' HG21 ' A' ' 82' ' ' THR . 61.7 mtm -78.23 -34.33 49.3 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.922 -1.111 . . . . 0.0 110.679 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 6.0 pt-20 -70.62 -32.89 70.39 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.965 -1.084 . . . . 0.0 110.584 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.66 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 13.0 t -77.52 -44.99 26.88 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.285 -0.884 . . . . 0.0 111.834 -177.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -70.99 -28.26 64.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.279 -1.513 . . . . 0.0 108.859 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.5 -37.44 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.099 -1.0 . . . . 0.0 109.815 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.5 m120 -70.03 -40.0 75.44 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.276 -0.89 . . . . 0.0 110.214 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -31.99 43.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.1 t80 -63.03 -39.97 96.33 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.19 -9.13 55.96 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.66 -40.08 50.18 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.081 -1.012 . . . . 0.0 109.606 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -103.85 -40.04 6.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -66.09 -23.59 66.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.024 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.31 -7.33 67.62 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -71.34 -31.36 67.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 24' ' ' ASP . 99.2 mt-10 -94.42 112.33 24.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . -30.74 -32.05 0.01 OUTLIER Glycine 0 N--CA 1.504 3.168 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' GLU . 89.9 m-20 -71.63 48.15 0.14 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.658 -1.495 . . . . 0.0 107.671 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.6 mtmm -62.06 6.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.907 -0.495 . . . . 0.0 110.92 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' B' ' 24' ' ' ASP . 79.0 m-85 -86.94 -10.13 53.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.5 -1.375 . . . . 0.0 109.823 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -161.07 160.83 30.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.818 -1.176 . . . . 0.0 110.647 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' B' ' 29' ' ' SER . 46.7 tp -82.89 166.27 19.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 35.5 t -137.28 164.12 29.31 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.946 -1.096 . . . . 0.0 109.744 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -69.96 -35.67 74.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.851 -1.155 . . . . 0.0 110.099 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 29' ' ' SER . 73.4 mt-10 -63.41 -49.9 71.94 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.678 -0.639 . . . . 0.0 111.373 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.3 pp -66.77 -29.49 69.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.216 -0.928 . . . . 0.0 110.165 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 29.0 tptp -61.09 -40.04 92.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 109.323 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' HG23 ' B' ' 39' ' ' THR . 46.1 t0 -68.7 -39.83 80.3 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.382 0.611 . . . . 0.0 110.906 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.35 -40.03 89.57 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.346 -0.846 . . . . 0.0 111.476 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' B' ' 47' ' ' VAL . 29.5 mt -74.37 -44.25 53.02 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.985 -1.072 . . . . 0.0 111.302 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 13.6 pt20 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.448 -0.783 . . . . 0.0 109.463 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.567 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -81.64 -57.06 3.62 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.225 -0.922 . . . . 0.0 112.192 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' B' ' 41' ' ' LEU . 6.2 mt-10 -112.17 -26.09 8.99 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.003 -1.06 . . . . 0.0 113.052 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 4' ' ' LEU . 7.0 mp -109.98 23.81 13.85 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.044 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.8 p -60.1 -40.2 88.81 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.173 -0.955 . . . . 0.0 111.045 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -70.91 -41.24 71.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.893 -1.13 . . . . 0.0 111.454 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -78.24 -70.0 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 110.419 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.76 96.52 8.21 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 15.4 p-10 -59.46 97.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.129 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.519 HG11 ' HB3' ' B' ' 37' ' ' LEU . 1.2 p -111.21 -16.56 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.701 -0.625 . . . . 0.0 109.634 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.02 -60.25 2.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.936 -1.102 . . . . 0.0 112.358 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.06 -45.81 91.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.884 -1.126 . . . . 0.0 110.101 -177.246 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.3 m-20 -99.76 78.25 2.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.476 -1.39 . . . . 0.0 109.7 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.573 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.38 -19.93 17.04 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -73.14 -24.21 60.57 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.26 -35.26 80.49 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.573 HG12 ' O ' ' B' ' 51' ' ' ALA . 5.3 p -77.52 -26.76 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.042 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -69.99 -37.26 75.67 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.747 -1.221 . . . . 0.0 108.119 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -69.85 -39.92 76.1 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.057 0.932 . . . . 0.0 109.428 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -37.38 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.594 0.711 . . . . 0.0 109.285 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 10.3 mmm -75.61 -32.87 60.47 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.735 0.778 . . . . 0.0 110.369 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -67.35 -40.0 85.78 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 122.458 1.123 . . . . 0.0 110.008 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.72 -40.12 96.19 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.941 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.668 HD23 ' H ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -103.95 -28.55 11.49 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.023 -1.048 . . . . 0.0 110.68 -178.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.668 ' H ' HD23 ' B' ' 61' ' ' LEU . 24.7 t0 -84.19 31.97 0.5 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.8 tt0 -49.73 -19.33 0.61 Allowed 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' B' ' 62' ' ' ASP . 48.2 t30 -72.64 -12.32 61.0 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.76 38.05 94.04 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 68' ' ' GLU . 1.7 m-20 -93.08 -9.9 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.045 -1.268 . . . . 0.0 110.041 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.43 1.31 10.24 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 106.625 -2.59 . . . . 0.0 106.625 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.3 mt-10 -130.17 146.26 51.79 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.525 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 16.5 t -115.71 136.87 51.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.7 m-20 -72.11 16.62 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.559 -0.713 . . . . 0.0 109.6 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 68.7 t80 62.66 -48.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 122.02 -0.425 . . . . 0.0 110.649 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' B' ' 70' ' ' ASP . 64.1 tt0 -60.08 -38.32 82.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.665 -1.272 . . . . 0.0 107.796 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.629 ' C ' HD12 ' B' ' 61' ' ' LEU . 94.7 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 79.5 t80 -62.43 -45.22 94.07 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.589 -0.695 . . . . 0.0 112.784 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.2 p -59.95 -39.95 81.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 120.6 -1.312 . . . . 0.0 110.656 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.26 -39.92 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.626 -1.296 . . . . 0.0 111.204 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.53 -56.21 11.93 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.819 -1.176 . . . . 0.0 112.454 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 4.5 m -75.23 -21.73 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.221 -0.924 . . . . 0.0 111.618 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.31 -48.47 67.5 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.594 -1.316 . . . . 0.0 109.126 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.47 75.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.242 -0.911 . . . . 0.0 110.947 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.486 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.4 OUTLIER -61.97 -55.22 31.66 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.876 -1.14 . . . . 0.0 110.773 -178.18 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.465 HG21 ' SD ' ' A' ' 8' ' ' MET . 94.4 m -64.55 -39.97 94.73 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.953 -1.092 . . . . 0.0 111.695 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.03 -41.66 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.871 -1.143 . . . . 0.0 109.634 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.92 83.94 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 109.617 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 m -59.88 -40.05 87.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.242 -0.911 . . . . 0.0 109.757 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.99 87.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.071 -1.018 . . . . 0.0 110.483 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -59.99 -40.14 88.12 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.961 -1.087 . . . . 0.0 108.888 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -61.09 -40.0 92.04 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.454 -0.899 . . . . 0.0 109.865 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -65.63 -36.61 84.21 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.3 -39.66 94.36 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.549 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.24 84.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.161 -0.962 . . . . 0.0 109.253 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.06 -39.8 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.308 -0.87 . . . . 0.0 108.829 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.556 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.681 ' HA3' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.905 0 N-CA-C 119.187 2.435 . . . . 0.0 119.187 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 18.5 m -107.02 -80.91 0.56 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -1.154 . . . . 0.0 110.794 -179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -102.45 -58.64 1.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.479 -0.763 . . . . 0.0 112.371 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.3 tt -59.99 -39.98 87.59 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.681 ' OE1' ' HA3' ' A' ' 1' ' ' GLY . 59.6 tt0 -62.82 -39.97 95.95 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.986 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -23.25 66.01 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.89 -37.58 81.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.578 -0.701 . . . . 0.0 110.235 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -81.28 -33.54 32.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.714 -1.241 . . . . 0.0 110.388 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -29.99 66.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.115 -0.991 . . . . 0.0 109.986 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.577 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 10.3 t -80.01 -52.05 8.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.136 -0.978 . . . . 0.0 111.174 -178.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 10' ' ' THR . 1.1 pp -61.22 -28.52 69.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.326 -1.484 . . . . 0.0 109.398 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.28 -36.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.763 -1.21 . . . . 0.0 110.147 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -69.76 -45.38 68.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.448 -0.783 . . . . 0.0 110.854 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -70.25 -30.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.3 t80 -62.82 -40.03 96.15 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -87.13 -9.3 55.65 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -77.13 -38.77 51.34 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.416 -0.803 . . . . 0.0 109.366 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -105.37 -20.61 13.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.385 -0.822 . . . . 0.0 111.311 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.8 m -70.06 -23.02 63.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.09 -1.006 . . . . 0.0 111.556 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.72 2.61 32.13 Favored Glycine 0 N--CA 1.501 2.995 0 O-C-N 121.092 -1.005 . . . . 0.0 111.127 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 17' ' ' ALA . 46.3 mtpt -87.8 -15.91 35.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.865 -1.374 . . . . 0.0 110.386 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -99.48 -5.07 29.97 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.222 -0.924 . . . . 0.0 110.344 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 98.27 -35.63 4.47 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -71.6 63.97 0.43 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.3 ttpp -80.0 -10.3 59.76 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.191 -178.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -78.2 -8.5 58.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.252 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -176.09 -179.95 1.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 109.534 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 33' ' ' LEU . 40.6 tp -83.92 165.14 18.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.37 -0.831 . . . . 0.0 109.28 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.422 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 8.6 p -134.46 166.95 21.67 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.908 -1.12 . . . . 0.0 109.829 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.93 -40.02 87.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.22 -0.925 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -76.77 -33.9 58.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.379 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 29' ' ' SER . 94.2 mt-10 -62.39 -44.23 96.94 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.587 -0.695 . . . . 0.0 110.918 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -69.93 -28.64 65.75 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -60.04 -40.0 87.87 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 109.118 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 39' ' ' THR . 95.5 m-20 -71.0 -40.0 72.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.83 -1.169 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.95 -41.91 92.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.968 -1.082 . . . . 0.0 110.875 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.4 mt -77.51 -40.06 44.1 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.734 -1.229 . . . . 0.0 110.333 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -70.06 -20.0 63.25 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.0 109.077 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.2 p -80.05 -57.44 3.63 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.123 -0.986 . . . . 0.0 110.705 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 22.8 mm-40 -109.98 -29.14 8.38 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.963 -1.085 . . . . 0.0 112.609 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.59 25.79 11.4 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 120.844 -1.16 . . . . 0.0 110.821 -177.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.2 p -60.02 -56.67 18.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.808 -1.182 . . . . 0.0 111.721 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 42' ' ' SER . 74.1 m -66.41 -40.01 89.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.227 -0.92 . . . . 0.0 112.361 -177.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -74.55 -65.4 0.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.576 -1.328 . . . . 0.0 110.783 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -83.03 98.12 9.11 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 29.2 t0 -51.95 123.15 9.71 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.137 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.33 -29.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.382 -0.824 . . . . 0.0 109.692 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -81.67 -57.19 3.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.369 -0.832 . . . . 0.0 111.215 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -60.24 -39.83 88.08 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.89 -1.131 . . . . 0.0 110.151 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -105.03 81.22 1.7 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.823 -1.173 . . . . 0.0 109.39 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.71 -23.16 64.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 108.568 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -68.69 -24.46 64.5 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.84 73.94 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -77.57 -30.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.989 -1.07 . . . . 0.0 109.235 179.477 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -66.54 -40.08 88.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.932 -1.105 . . . . 0.0 108.756 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.35 -40.03 74.3 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.998 0.904 . . . . 0.0 111.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.661 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.18 -40.12 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.037 -177.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.11 -25.1 34.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 110.088 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.95 -42.3 93.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.881 -1.137 . . . . 0.0 109.374 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -59.95 -38.11 81.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 3.7 mp -74.91 -62.77 1.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.384 0.612 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' C ' ' N ' ' A' ' 64' ' ' ASN . 90.7 m-20 -78.63 40.92 0.39 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 61' ' ' LEU . 84.0 tt0 -52.48 -16.83 0.99 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' N ' ' C ' ' A' ' 62' ' ' ASP . 91.0 m-20 -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.15 30.06 69.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLU . 25.7 p-10 -90.03 -0.84 57.8 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.153 -1.204 . . . . 0.0 109.845 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.33 10.05 0.3 Allowed Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ASP . 42.5 mt-10 -132.52 131.31 41.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.501 -0.999 . . . . 0.0 108.935 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 71' ' ' PHE . 21.2 t -99.1 140.38 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.447 -0.783 . . . . 0.0 110.224 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' GLN . 71.4 m-20 -75.88 19.16 0.22 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.395 -0.815 . . . . 0.0 109.439 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 90.2 t80 63.68 -48.47 0.25 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 122.083 -0.385 . . . . 0.0 111.919 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.8 mt-30 -59.9 -39.72 86.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.426 -1.421 . . . . 0.0 108.715 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.78 -39.56 85.32 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.726 ' O ' HG22 ' A' ' 78' ' ' VAL . 75.0 t80 -63.48 -44.86 93.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.84 -40.05 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.42 -1.425 . . . . 0.0 110.566 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -71.75 -36.65 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.448 -1.407 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.661 HD21 HG13 ' A' ' 57' ' ' ILE . 31.7 tp -61.53 -56.45 19.88 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.88 -1.138 . . . . 0.0 111.909 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.6 m -77.46 -22.3 14.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.871 -0.518 . . . . 0.0 111.251 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.04 -48.01 59.7 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.134 -1.027 . . . . 0.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.99 75.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.18 -0.95 . . . . 0.0 111.204 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.28 -48.81 78.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.697 -1.252 . . . . 0.0 110.307 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.25 -40.06 92.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.999 -1.063 . . . . 0.0 110.714 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -60.19 -45.23 96.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.137 -0.977 . . . . 0.0 110.358 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.82 95.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.585 -0.697 . . . . 0.0 111.455 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.5 p -60.63 -39.98 90.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 0.0 109.508 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 11.5 t-20 -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.384 -0.823 . . . . 0.0 110.444 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 55.0 t-20 -67.77 -38.28 83.19 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.115 -0.991 . . . . 0.0 110.189 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.75 -26.96 64.56 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.294 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.55 -6.5 44.38 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.17 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -69.92 -4.91 22.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.059 -1.026 . . . . 0.0 109.502 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -39.68 86.59 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.288 -0.883 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.133 -0.979 . . . . 0.0 109.153 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.754 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.68 ' HA3' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.826 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.423 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 18.4 m -106.91 -81.31 0.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -1.184 . . . . 0.0 110.587 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.24 -58.49 1.87 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.439 -0.788 . . . . 0.0 112.442 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.3 tt -60.01 -40.03 87.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.68 ' OE1' ' HA3' ' B' ' 1' ' ' GLY . 58.0 tt0 -62.93 -40.01 96.31 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.82 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.1 m -61.87 -22.98 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.9 mmt -81.14 -34.07 32.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.751 -1.218 . . . . 0.0 110.422 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -30.14 67.28 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.083 -1.011 . . . . 0.0 110.124 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 10.1 t -79.81 -52.25 8.14 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.164 -0.96 . . . . 0.0 111.247 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.542 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -60.86 -28.86 69.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.251 -1.531 . . . . 0.0 109.431 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.96 -36.6 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.775 -1.203 . . . . 0.0 110.24 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -70.13 -45.05 67.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.209 -0.932 . . . . 0.0 110.986 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.09 -30.86 45.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.3 t80 -62.97 -40.08 96.65 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -87.02 -9.52 55.35 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 21' ' ' LYS . . . -76.89 -38.69 53.1 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -105.47 -20.56 13.44 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.378 -0.826 . . . . 0.0 111.327 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 75.6 m -70.15 -22.88 62.93 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.125 -0.984 . . . . 0.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.07 3.08 31.51 Favored Glycine 0 N--CA 1.502 3.079 0 O-C-N 120.981 -1.075 . . . . 0.0 111.147 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' B' ' 17' ' ' ALA . 45.5 mtpt -88.14 -15.53 35.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.812 -1.405 . . . . 0.0 110.251 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -99.89 -5.01 29.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 98.45 -36.0 4.26 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -71.45 63.95 0.4 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' B' ' 23' ' ' GLY . 9.9 ttpp -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.305 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.63 -8.83 59.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.952 -1.093 . . . . 0.0 109.197 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -175.91 179.71 1.29 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.511 -0.743 . . . . 0.0 109.498 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.8 tp -83.34 165.05 19.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.347 -0.846 . . . . 0.0 109.344 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 10.0 p -133.78 167.19 20.99 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.95 -1.094 . . . . 0.0 109.766 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.93 -40.04 87.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.285 -0.884 . . . . 0.0 111.269 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.89 -33.62 57.79 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.723 -1.236 . . . . 0.0 110.227 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 29' ' ' SER . 93.9 mt-10 -62.81 -44.06 97.15 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.549 -0.719 . . . . 0.0 110.822 -178.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.562 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.91 -28.68 65.81 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.335 -0.853 . . . . 0.0 110.05 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -59.96 -39.93 87.31 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 95.8 m-20 -70.97 -39.92 72.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.907 -1.12 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.14 -41.94 93.8 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.985 -1.072 . . . . 0.0 110.851 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.5 mt -77.34 -40.18 45.0 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.682 -1.261 . . . . 0.0 110.358 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.11 -20.17 63.2 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.53 -0.731 . . . . 0.0 109.096 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.75 -57.66 3.56 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.755 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.464 ' C ' HD12 ' B' ' 41' ' ' LEU . 22.0 mm-40 -109.93 -29.11 8.41 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 112.617 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.5 mp -110.49 25.87 11.3 Favored 'General case' 0 N--CA 1.517 2.917 0 O-C-N 120.857 -1.152 . . . . 0.0 110.845 -177.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' B' ' 43' ' ' SER . 4.3 p -59.92 -57.01 14.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.784 -1.197 . . . . 0.0 111.764 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.51 ' N ' ' OG ' ' B' ' 42' ' ' SER . 69.9 m -66.31 -40.06 89.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 112.28 -177.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.51 -65.84 0.81 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.757 -1.215 . . . . 0.0 110.618 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.86 98.6 9.25 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' B' ' 46' ' ' ASP . 28.0 t0 -52.54 123.04 10.06 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.14 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.21 -30.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.399 -0.813 . . . . 0.0 109.723 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -81.15 -57.25 3.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.324 -0.86 . . . . 0.0 111.207 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -60.22 -39.99 88.59 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.95 -1.093 . . . . 0.0 110.142 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -105.02 81.62 1.76 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.862 -1.149 . . . . 0.0 109.362 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.83 -23.41 65.08 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 108.466 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -68.44 -25.1 64.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.92 76.78 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 51' ' ' ALA . 1.0 OUTLIER -77.05 -29.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.939 -1.101 . . . . 0.0 109.379 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.65 -40.02 88.5 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.933 -1.104 . . . . 0.0 108.769 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.35 -40.01 74.34 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.873 0.844 . . . . 0.0 111.29 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.678 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -65.59 -40.0 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.813 -0.554 . . . . 0.0 110.101 -177.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.1 -25.08 34.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.765 -1.209 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.94 -42.3 93.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 109.185 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.05 -38.51 82.99 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -74.48 -62.82 1.39 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.426 0.632 . . . . 0.0 110.614 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' B' ' 64' ' ' ASN . 91.3 m-20 -78.17 40.88 0.35 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.412 -0.805 . . . . 0.0 108.88 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 83.5 tt0 -52.46 -16.78 0.97 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' B' ' 62' ' ' ASP . 90.7 m-20 -86.37 -3.53 59.01 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.636 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.01 70.09 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' B' ' 68' ' ' GLU . 25.4 p-10 -89.98 -0.99 57.89 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.088 -1.242 . . . . 0.0 109.759 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.52 10.01 0.32 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 66' ' ' ASP . 41.8 mt-10 -132.59 131.31 41.33 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.473 -1.016 . . . . 0.0 108.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -99.18 140.13 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.515 -0.741 . . . . 0.0 110.298 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' B' ' 72' ' ' GLN . 72.3 m-20 -75.59 19.12 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.518 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 89.3 t80 63.9 -48.71 0.27 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 122.079 -0.388 . . . . 0.0 111.886 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-30 -60.08 -39.3 85.63 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.395 -1.44 . . . . 0.0 108.747 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 57.7 mt-10 -59.97 -39.6 86.2 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.736 ' O ' HG22 ' B' ' 78' ' ' VAL . 75.1 t80 -63.62 -44.69 93.18 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.04 -40.04 82.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 120.233 -1.542 . . . . 0.0 110.434 -176.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.411 HG22 ' H ' ' B' ' 76' ' ' VAL . 11.4 m -71.23 -37.48 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.588 -1.32 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.678 HD21 HG13 ' B' ' 57' ' ' ILE . 30.9 tp -61.06 -56.21 23.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.914 -1.116 . . . . 0.0 112.177 -177.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.736 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -77.6 -22.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.829 -0.545 . . . . 0.0 111.137 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.95 -48.72 57.25 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.179 -1.009 . . . . 0.0 109.86 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.95 77.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 111.129 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.33 -48.59 79.14 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.823 -1.173 . . . . 0.0 110.462 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.69 -40.02 93.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.036 -1.04 . . . . 0.0 110.446 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.0 -45.09 95.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.237 -0.914 . . . . 0.0 110.203 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.89 95.39 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.444 -0.785 . . . . 0.0 111.705 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.6 p -60.69 -39.88 90.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.727 -1.233 . . . . 0.0 109.428 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 11.5 t-20 -60.04 -40.04 88.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.413 -0.804 . . . . 0.0 110.357 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 54.0 t-20 -67.42 -38.65 84.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 110.244 -178.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.63 -26.77 64.58 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.366 -0.834 . . . . 0.0 110.339 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.91 -6.13 43.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.128 -0.982 . . . . 0.0 109.173 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -70.26 -4.68 23.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.17 -0.956 . . . . 0.0 109.367 -179.621 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.08 -39.55 86.46 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.323 -0.861 . . . . 0.0 109.386 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.148 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.735 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.653 ' HA3' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.94 0 N-CA-C 119.244 2.458 . . . . 0.0 119.244 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -108.3 -88.22 0.48 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -1.18 . . . . 0.0 110.097 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.53 -58.07 1.94 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.759 -0.588 . . . . 0.0 112.209 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 61.3 tp -60.25 -40.47 90.42 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.845 -1.159 . . . . 0.0 109.021 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.653 ' CD ' ' HA3' ' A' ' 1' ' ' GLY . 34.4 tt0 -63.62 -38.64 91.87 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.048 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 10' ' ' THR . 18.0 m -62.01 -21.31 64.77 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -69.49 -35.96 76.05 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.418 -0.801 . . . . 0.0 109.772 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.515 ' SD ' HD21 ' B' ' 41' ' ' LEU . 37.6 mtp -75.46 -39.9 58.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.949 -1.095 . . . . 0.0 110.402 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.13 -35.76 78.63 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.376 0.607 . . . . 0.0 111.318 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.3 t -73.57 -47.49 40.2 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.319 -0.863 . . . . 0.0 111.614 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' THR . 2.4 pp -72.09 -26.88 62.32 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.236 -1.54 . . . . 0.0 110.429 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.98 -36.02 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.689 -1.257 . . . . 0.0 110.227 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.86 -40.73 65.44 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -33.71 57.59 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.02 -42.59 94.67 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -84.96 -9.38 58.13 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.37 27.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 110.642 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 50.7 t60 -111.55 -37.69 5.14 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.327 -0.858 . . . . 0.0 110.827 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.1 m -52.87 -30.16 32.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.164 -0.96 . . . . 0.0 110.234 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.04 12.32 52.47 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -89.39 -20.04 24.46 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.492 -1.005 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -110.55 -6.1 14.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 111.425 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.85 23.01 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.8 m-20 50.22 40.17 21.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.776 -1.426 . . . . 0.0 108.134 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -71.42 -6.85 43.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.565 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -78.74 -10.06 59.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.7 ttmp? -158.52 160.01 36.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 29' ' ' SER . 55.5 tp -80.33 167.61 20.03 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 66.5 m -135.87 161.62 35.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.796 -1.19 . . . . 0.0 109.973 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.78 -39.76 85.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.291 -0.881 . . . . 0.0 110.013 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -70.72 -36.59 73.29 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.039 -1.038 . . . . 0.0 110.581 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 19' ' ' SER . 6.9 mm-40 -60.44 -50.11 74.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.285 -0.884 . . . . 0.0 111.263 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -68.22 -25.58 65.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.895 -1.128 . . . . 0.0 110.487 -179.023 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 tptp -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 0.0 109.601 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 39' ' ' THR . 23.6 t0 -73.02 -40.08 65.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.801 -1.187 . . . . 0.0 110.485 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.22 -40.96 95.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.246 -0.909 . . . . 0.0 111.132 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 45' ' ' LEU . 22.0 mt -75.61 -40.79 55.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.042 -1.036 . . . . 0.0 110.073 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -69.93 -20.45 63.35 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' ASP . 11.7 p -83.93 -57.48 3.18 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.329 -0.857 . . . . 0.0 112.47 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 41' ' ' LEU . 15.1 mt-10 -111.02 -28.8 8.16 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.775 -1.203 . . . . 0.0 112.753 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' B' ' 8' ' ' MET . 11.1 mp -108.46 23.15 14.94 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.965 -1.084 . . . . 0.0 110.323 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' LEU . 82.1 p -60.29 -40.46 90.56 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 110.329 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.5 t -70.02 -45.22 67.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 111.467 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.15 -67.91 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.902 -1.123 . . . . 0.0 110.042 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 37' ' ' LEU . 81.4 mt -81.23 95.66 7.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.16 89.97 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.453 -0.779 . . . . 0.0 109.924 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' A' ' 37' ' ' LEU . 2.1 p -105.06 -16.21 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -80.0 -69.86 0.56 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.116 -0.99 . . . . 0.0 112.318 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.58 -50.12 72.87 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.066 -1.021 . . . . 0.0 110.458 -176.731 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 98.2 m-20 -93.99 76.59 4.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.154 -1.592 . . . . 0.0 109.665 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.28 -22.07 27.87 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -67.63 -27.66 67.07 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -60.8 -31.84 71.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.0 -26.3 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.928 . . . . 0.0 109.748 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -71.15 -40.08 71.56 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 120.787 -1.196 . . . . 0.0 108.26 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -68.67 -39.88 80.42 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.048 0.927 . . . . 0.0 110.055 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.82 78.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.5 mmm -72.69 -30.98 64.69 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.811 0.815 . . . . 0.0 109.822 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -59.9 -44.31 94.34 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.532 0.682 . . . . 0.0 109.704 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -69.94 -39.86 75.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 109.306 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 6.5 mp -67.72 -83.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.644 0.735 . . . . 0.0 109.652 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 37.9 t0 -75.17 55.75 0.76 Allowed 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.22 -13.11 1.15 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.272 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 66.2 t30 -77.32 -14.28 59.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.524 -0.735 . . . . 0.0 109.521 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.16 30.93 71.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 14.9 p30 -91.21 -2.56 57.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.992 -1.299 . . . . 0.0 110.338 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 69.86 1.82 34.24 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -128.38 141.71 51.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.471 -1.017 . . . . 0.0 108.426 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.6 t -109.77 139.82 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 CA-C-O 121.724 0.773 . . . . 0.0 110.456 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.8 t70 -81.01 25.14 0.47 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.607 -0.683 . . . . 0.0 109.636 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 12.4 p90 55.05 -46.61 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 122.73 0.412 . . . . 0.0 112.058 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.614 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.0 tt0 -59.83 -37.24 78.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.215 -1.553 . . . . 0.0 108.058 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 37.2 mt-10 -60.13 -40.01 88.26 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 109.187 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.1 t80 -66.93 -49.5 65.35 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.2 -40.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.491 -1.381 . . . . 0.0 111.27 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' B' ' 76' ' ' VAL . 55.3 t -65.61 -40.12 87.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.705 -1.247 . . . . 0.0 112.292 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' CB ' HD11 ' A' ' 61' ' ' LEU . 2.0 tm? -69.14 -57.75 4.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.839 -1.163 . . . . 0.0 112.204 -176.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.7 m -72.36 -23.99 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.162 -0.961 . . . . 0.0 111.835 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.63 60.5 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.842 -1.161 . . . . 0.0 109.514 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.97 95.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.394 -0.816 . . . . 0.0 110.988 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 60.4 tp -61.02 -40.13 92.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.8 -1.188 . . . . 0.0 110.298 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -64.66 -47.11 79.65 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.135 -0.978 . . . . 0.0 112.976 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.9 -43.67 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.395 -1.441 . . . . 0.0 109.859 -178.506 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -28.95 68.33 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.365 -0.834 . . . . 0.0 108.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 64.1 m -68.56 -40.14 80.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.327 -0.858 . . . . 0.0 109.549 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -61.16 -39.83 91.57 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.624 -0.672 . . . . 0.0 110.654 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 46.5 t-20 -74.52 -27.22 60.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.051 -1.031 . . . . 0.0 109.409 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.89 -41.86 92.53 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.245 -0.909 . . . . 0.0 109.267 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -75.08 -28.04 60.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.179 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -65.32 -40.43 93.73 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.203 -0.936 . . . . 0.0 108.981 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.46 -40.0 92.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.258 -0.901 . . . . 0.0 108.604 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.75 -25.35 67.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.451 -0.781 . . . . 0.0 109.81 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.466 -179.685 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.644 ' HA3' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m -108.28 -88.82 0.47 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -1.15 . . . . 0.0 110.008 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.423 ' C ' ' HG1' ' A' ' 10' ' ' THR . 16.8 mt-10 -102.74 -58.03 1.95 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.727 -0.608 . . . . 0.0 112.37 -177.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 59.5 tp -60.37 -40.22 90.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.98 -1.075 . . . . 0.0 109.144 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.644 ' CD ' ' HA3' ' B' ' 1' ' ' GLY . 34.5 tt0 -63.95 -38.32 90.64 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.702 -1.199 . . . . 0.0 107.944 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.452 ' O ' HG22 ' B' ' 10' ' ' THR . 18.5 m -62.33 -21.23 65.12 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.31 -36.1 76.64 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.877 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 37.9 mtp -75.26 -39.97 59.31 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.078 -1.014 . . . . 0.0 110.36 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.43 -35.05 77.07 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.334 0.588 . . . . 0.0 111.269 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.0 t -74.11 -47.57 35.34 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.241 -0.912 . . . . 0.0 111.606 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 10' ' ' THR . 2.3 pp -71.87 -27.11 62.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.358 -1.464 . . . . 0.0 110.343 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.96 -35.66 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.625 -1.297 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -73.58 -40.13 64.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 109.491 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -33.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.22 -42.52 95.36 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -85.51 -8.76 58.15 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.89 -32.68 27.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.415 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 52.9 t60 -111.8 -37.02 5.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.35 -0.844 . . . . 0.0 110.773 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.417 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.8 m -53.18 -30.3 36.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.984 . . . . 0.0 110.188 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.16 13.07 52.23 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -89.87 -20.1 23.82 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.44 -1.035 . . . . 0.0 109.185 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -110.64 -6.09 14.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.611 -0.681 . . . . 0.0 111.415 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.74 22.92 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.453 -2.259 . . . . 0.0 107.453 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.4 m-20 50.08 40.42 21.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.772 -1.428 . . . . 0.0 108.212 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -71.77 -6.76 43.75 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -78.82 -9.99 59.64 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.7 ttmp? -158.41 160.03 36.41 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' B' ' 29' ' ' SER . 55.5 tp -80.23 167.13 20.69 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.756 -1.215 . . . . 0.0 107.729 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 73.4 m -135.84 161.44 35.59 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.742 -1.224 . . . . 0.0 109.984 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -59.93 -39.51 85.76 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.329 -0.857 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -70.61 -36.53 73.56 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.029 -1.044 . . . . 0.0 110.466 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 19' ' ' SER . 6.7 mm-40 -60.53 -50.47 73.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 111.276 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -67.84 -25.58 65.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.863 -1.148 . . . . 0.0 110.558 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.2 tptp -60.26 -40.32 89.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.982 -1.074 . . . . 0.0 109.492 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 22.2 t0 -72.46 -39.81 67.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.837 -1.165 . . . . 0.0 110.765 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.85 -40.73 96.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.112 -0.992 . . . . 0.0 111.02 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' B' ' 45' ' ' LEU . 22.5 mt -75.82 -40.87 54.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.981 -1.074 . . . . 0.0 110.19 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -69.95 -20.08 63.34 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 11.2 p -84.28 -57.36 3.2 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 112.373 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.468 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.9 mt-10 -110.97 -29.1 8.05 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.899 -1.125 . . . . 0.0 112.727 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.515 HD21 ' SD ' ' A' ' 8' ' ' MET . 11.0 mp -108.44 23.38 14.6 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.916 -1.115 . . . . 0.0 110.408 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 79.3 p -60.36 -40.14 89.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.227 -0.921 . . . . 0.0 110.335 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -70.22 -45.26 66.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 111.393 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.39 -67.94 0.64 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.952 -1.092 . . . . 0.0 109.997 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' B' ' 37' ' ' LEU . 79.3 mt -81.04 95.44 6.83 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.24 90.54 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.444 -0.785 . . . . 0.0 109.697 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' B' ' 37' ' ' LEU . 1.9 p -105.53 -16.08 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -80.19 -69.86 0.56 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.064 -1.022 . . . . 0.0 112.122 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.467 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.31 -50.66 70.79 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.429 -176.778 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 53' ' ' ALA . 97.8 m-20 -93.76 76.99 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.303 -1.498 . . . . 0.0 109.75 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.79 -21.94 32.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.96 -27.31 66.49 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.06 -31.77 71.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.21 -25.85 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.912 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -71.11 -40.08 71.7 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.896 -1.128 . . . . 0.0 108.296 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -68.97 -40.12 79.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.229 1.014 . . . . 0.0 110.008 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -37.03 79.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 72.2 mmm -72.57 -31.1 64.98 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.806 0.812 . . . . 0.0 109.824 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -59.7 -44.49 93.65 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.399 0.619 . . . . 0.0 109.61 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.8 -40.02 76.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.418 -0.801 . . . . 0.0 109.468 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 6.5 mp -67.47 -83.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.711 . . . . 0.0 109.736 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 36.4 t0 -75.04 55.76 0.73 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.13 -13.11 1.09 Allowed 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.292 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' B' ' 62' ' ' ASP . 66.0 t30 -77.16 -14.56 59.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.524 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.33 30.69 71.39 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 15.1 p30 -90.91 -2.71 57.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.22 -1.165 . . . . 0.0 110.215 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.542 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 69.72 2.21 35.36 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -128.86 141.41 51.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.477 -1.014 . . . . 0.0 108.375 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -109.72 139.86 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.718 0.77 . . . . 0.0 110.472 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 72' ' ' GLN . 7.8 t70 -81.01 25.35 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.698 -0.626 . . . . 0.0 109.595 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 13.4 p90 54.83 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.623 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 64.0 tt0 -59.95 -37.1 78.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.175 -1.578 . . . . 0.0 107.893 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 35.6 mt-10 -60.1 -39.9 87.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.513 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.3 t80 -66.58 -50.0 64.5 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 3.6 p -59.24 -40.13 80.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.654 -1.279 . . . . 0.0 111.168 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 76' ' ' VAL . 54.6 t -65.16 -40.32 88.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 120.951 -1.093 . . . . 0.0 112.052 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD11 ' B' ' 61' ' ' LEU . 2.0 tm? -69.23 -57.79 4.89 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.797 -1.189 . . . . 0.0 112.329 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.513 HG22 ' O ' ' B' ' 74' ' ' PHE . 6.6 m -72.6 -23.72 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.176 -0.953 . . . . 0.0 111.611 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.09 -50.9 60.03 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.827 -1.171 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.02 96.0 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.304 -0.873 . . . . 0.0 111.111 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 61.7 tp -61.24 -39.85 91.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.896 -1.128 . . . . 0.0 110.278 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.3 p -64.37 -48.67 74.57 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.201 -0.937 . . . . 0.0 112.93 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -43.89 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.502 -1.374 . . . . 0.0 109.925 -178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.78 68.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.344 -0.847 . . . . 0.0 108.948 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 63.7 m -68.71 -40.23 80.09 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.547 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.67 -40.26 91.43 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.542 -0.724 . . . . 0.0 110.495 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 46.8 t-20 -74.57 -27.01 60.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.925 -1.109 . . . . 0.0 109.405 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.88 -41.72 92.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.234 -0.916 . . . . 0.0 109.351 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -75.25 -28.24 59.78 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.199 -0.938 . . . . 0.0 109.14 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -65.04 -40.86 95.39 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.308 -0.87 . . . . 0.0 108.963 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.22 -39.84 91.73 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.083 -1.011 . . . . 0.0 108.771 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.86 -25.14 67.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.32 -0.862 . . . . 0.0 109.754 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.909 -1.043 . . . . 0.0 109.502 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 t . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 44.0 mt-10 -60.82 -46.75 89.3 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.334 -0.854 . . . . 0.0 109.664 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -74.4 -40.07 62.27 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.25 -40.04 93.47 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 2' ' ' SER . 19.8 m -63.27 -22.0 66.59 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -70.02 -35.8 74.59 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.012 0.911 . . . . 0.0 109.505 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ttt -77.5 -37.22 51.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.438 -0.789 . . . . 0.0 110.288 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.98 -36.1 74.94 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.518 -0.739 . . . . 0.0 110.915 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.3 t -71.86 -54.21 10.82 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 111.412 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 10' ' ' THR . 0.9 OUTLIER -60.03 -29.04 68.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.257 -1.527 . . . . 0.0 109.556 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.93 -34.28 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.587 -1.321 . . . . 0.0 110.456 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.47 -46.7 53.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.114 -0.991 . . . . 0.0 110.844 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 15' ' ' PHE . 32.7 m -66.08 -32.89 60.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 56.0 t80 -61.04 -40.03 92.05 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -89.36 -4.55 58.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.99 -38.88 24.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.251 -0.905 . . . . 0.0 109.251 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 89.2 m-70 -102.32 -34.71 9.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.392 -0.817 . . . . 0.0 110.48 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -61.25 -40.0 92.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.12 -0.988 . . . . 0.0 110.645 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.07 86.12 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -80.46 -20.38 43.88 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.412 -1.052 . . . . 0.0 109.417 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -94.35 -6.57 43.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.714 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 96.0 -38.86 2.97 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.71 70.04 0.93 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' GLY . 27.3 ttmt -79.51 -11.89 59.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.813 -0.554 . . . . 0.0 110.292 -177.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -92.2 -15.36 27.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.056 -1.027 . . . . 0.0 109.972 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.94 145.6 31.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.068 -1.02 . . . . 0.0 109.154 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.47 166.86 18.98 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.9 t -137.05 167.56 21.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.966 -1.083 . . . . 0.0 110.257 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.14 84.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 111.461 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -75.73 -32.95 60.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.659 -1.276 . . . . 0.0 111.04 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 29' ' ' SER . 61.8 mt-10 -61.61 -49.96 74.51 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.068 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -65.17 -31.38 72.54 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.386 -0.821 . . . . 0.0 110.4 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -59.96 -39.96 87.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 108.823 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 19.5 t70 -68.58 -40.39 80.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.587 0.708 . . . . 0.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.64 -41.23 98.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.989 -1.069 . . . . 0.0 112.014 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -78.98 -41.75 28.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.674 -1.266 . . . . 0.0 111.493 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.547 -0.72 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -76.35 -57.96 3.56 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.139 -0.976 . . . . 0.0 111.439 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 7.6 mt-10 -110.97 -28.09 8.5 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.048 . . . . 0.0 112.446 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -108.5 28.15 8.66 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.935 -1.103 . . . . 0.0 110.755 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -60.03 -50.3 74.26 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.935 -1.103 . . . . 0.0 110.957 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -63.84 -39.96 95.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.205 -0.935 . . . . 0.0 111.809 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -76.98 -69.22 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.793 -1.192 . . . . 0.0 110.331 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.42 98.26 9.4 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -57.68 139.35 53.96 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.2 p -163.53 -52.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.885 -1.135 . . . . 0.0 110.065 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.519 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.8 pt20 -61.29 -41.91 97.75 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.83 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -71.88 -39.92 69.29 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.831 -1.168 . . . . 0.0 109.354 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -103.22 83.95 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.192 -0.942 . . . . 0.0 109.227 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.742 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.99 -24.12 64.2 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.907 -1.121 . . . . 0.0 108.726 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.03 -28.93 67.0 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.28 75.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.889 -0.507 . . . . 0.0 109.799 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 51' ' ' ALA . 10.4 p -75.83 -29.0 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.878 -1.139 . . . . 0.0 110.326 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -68.92 -42.04 77.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.794 1.283 . . . . 0.0 108.698 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.07 -40.05 86.98 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -40.03 84.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.096 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.3 -26.03 58.38 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.924 -1.11 . . . . 0.0 109.079 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.87 -43.89 90.95 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.173 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.11 -40.01 95.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.96 . . . . 0.0 108.519 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 74' ' ' PHE . 5.2 mp -71.53 -56.17 6.42 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.74 0.781 . . . . 0.0 109.103 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.5 m-20 -81.95 42.42 0.72 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.07 -22.92 4.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 62' ' ' ASP . 75.9 m-20 -79.75 -8.76 59.45 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.635 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.79 76.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 68' ' ' GLU . 43.0 p-10 -92.02 -0.05 57.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.209 -1.171 . . . . 0.0 110.959 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.04 5.13 0.56 Allowed Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.8 mt-10 -129.67 151.94 49.72 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 71' ' ' PHE . 24.2 t -122.22 150.59 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 121.451 0.643 . . . . 0.0 110.31 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.8 18.87 7.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 109.707 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 46.9 t80 62.6 -42.25 0.18 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 122.071 -0.393 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 70' ' ' ASP . 60.2 tt0 -65.53 -40.07 92.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.508 -1.37 . . . . 0.0 108.99 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 81.2 mt-10 -60.14 -40.0 88.29 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.284 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.8 t80 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -59.93 -39.81 81.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.882 -1.136 . . . . 0.0 111.402 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.23 -40.02 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.473 -1.392 . . . . 0.0 111.581 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.78 -57.47 6.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.844 -1.16 . . . . 0.0 111.419 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.7 m -70.09 -22.49 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.885 -1.135 . . . . 0.0 110.99 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -63.35 -49.03 75.48 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.77 -1.206 . . . . 0.0 109.24 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.33 75.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 112.255 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.7 -46.83 74.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.565 -1.334 . . . . 0.0 111.919 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 83' ' ' VAL . 14.3 t -69.41 -40.1 77.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.875 -1.141 . . . . 0.0 110.383 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 82' ' ' THR . 54.6 t -59.95 -41.08 84.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.876 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.87 94.3 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.643 . . . . 0.0 109.622 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -41.25 91.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.765 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.11 -40.13 88.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.685 -1.26 . . . . 0.0 109.732 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -71.65 -24.68 61.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.626 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.04 -45.33 93.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 C--N 1.304 -1.396 0 O-C-N 121.186 -0.947 . . . . 0.0 109.249 179.178 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 1.3 t . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 44.9 mt-10 -60.86 -46.71 89.51 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.363 -0.836 . . . . 0.0 109.612 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.461 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.4 tt -74.39 -40.05 62.3 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.41 -39.95 92.77 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.6 m -63.31 -21.83 66.5 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -70.01 -35.98 74.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.095 0.95 . . . . 0.0 109.632 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.38 -37.17 52.66 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.477 -0.764 . . . . 0.0 110.379 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.05 -36.34 74.92 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.541 -0.724 . . . . 0.0 110.931 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.3 t -71.85 -54.39 10.27 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.355 -0.841 . . . . 0.0 111.302 -177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -59.99 -29.06 68.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.252 -1.53 . . . . 0.0 109.446 -179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.95 -34.06 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.668 -1.27 . . . . 0.0 110.561 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -73.05 -46.37 52.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.835 -1.166 . . . . 0.0 110.8 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 15' ' ' PHE . 32.9 m -65.53 -33.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 55.8 t80 -61.0 -39.99 91.83 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -89.76 -3.45 58.16 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.84 -38.87 22.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.159 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 89.0 m-70 -102.45 -34.46 9.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.383 -0.823 . . . . 0.0 110.48 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -61.41 -39.96 92.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.15 -0.969 . . . . 0.0 110.627 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.23 -1.98 85.93 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -80.71 -20.21 43.35 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.515 -0.991 . . . . 0.0 109.319 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -94.52 -6.46 43.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 109.708 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 95.88 -38.75 3.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.74 70.01 0.94 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.9 ttmt -79.54 -11.85 59.88 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.935 -0.478 . . . . 0.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -91.97 -16.01 27.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.063 -1.023 . . . . 0.0 109.89 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 145.3 31.76 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.0 -1.063 . . . . 0.0 109.174 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.0 tp -82.16 166.89 19.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.529 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 34.8 t -136.14 168.88 18.55 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.9 -1.125 . . . . 0.0 110.257 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -40.5 89.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.61 -0.682 . . . . 0.0 111.329 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -76.01 -32.81 59.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.729 -1.232 . . . . 0.0 111.135 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' B' ' 29' ' ' SER . 61.8 mt-10 -61.54 -50.0 74.43 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.392 -0.818 . . . . 0.0 110.963 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.0 OUTLIER -65.2 -31.48 72.67 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.45 -0.781 . . . . 0.0 110.378 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.94 -40.0 87.44 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.271 -0.893 . . . . 0.0 108.793 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' B' ' 39' ' ' THR . 19.2 t70 -68.75 -39.0 80.51 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.466 0.651 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.29 -40.8 94.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.014 -1.054 . . . . 0.0 111.878 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.0 -41.86 27.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.633 -1.292 . . . . 0.0 111.522 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.01 -19.98 63.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.4 p -76.24 -58.21 3.41 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.095 -1.003 . . . . 0.0 111.465 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 7.9 mt-10 -110.9 -27.9 8.61 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.047 -1.033 . . . . 0.0 112.573 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.467 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -108.66 28.21 8.64 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.909 -1.119 . . . . 0.0 110.705 -177.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.4 t -60.05 -50.11 75.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.924 -1.11 . . . . 0.0 110.923 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.9 m -63.93 -40.08 95.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.271 -0.893 . . . . 0.0 111.756 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -77.02 -69.28 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.767 -1.208 . . . . 0.0 110.321 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -83.32 98.3 9.37 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.74 139.2 54.48 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.522 HG13 ' H ' ' B' ' 48' ' ' GLN . 2.2 p -163.53 -52.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.907 -1.121 . . . . 0.0 110.047 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.522 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.5 pt20 -61.2 -41.8 97.46 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.884 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.0 -39.64 69.09 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.363 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -103.34 83.74 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.277 -0.889 . . . . 0.0 109.287 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.756 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.09 -24.1 64.34 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.88 -1.137 . . . . 0.0 108.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.93 -29.32 67.55 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.33 76.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.756 HG12 ' O ' ' B' ' 51' ' ' ALA . 13.0 p -75.1 -29.02 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.897 -1.127 . . . . 0.0 110.435 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -69.27 -41.8 76.39 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.733 1.254 . . . . 0.0 108.59 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.31 -40.0 85.97 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -39.97 85.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.075 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ptm -75.54 -26.02 57.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.821 -1.175 . . . . 0.0 109.048 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.543 -0.723 . . . . 0.0 109.126 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 0.0 108.511 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.4 mp -71.48 -56.28 6.24 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.766 0.793 . . . . 0.0 109.146 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 94.7 m-20 -81.88 42.64 0.72 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -52.35 -22.57 4.73 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 75.9 m-20 -79.9 -8.85 59.54 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.679 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.97 77.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.8 p-10 -92.24 -0.03 57.43 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.271 -1.135 . . . . 0.0 110.917 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.8 5.44 0.57 Allowed Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.2 mt-10 -129.59 151.86 49.74 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.458 HG12 ' H ' ' B' ' 71' ' ' PHE . 23.3 t -122.2 150.51 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-O 121.426 0.631 . . . . 0.0 110.373 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.0 m-20 -91.74 18.73 7.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.51 -0.744 . . . . 0.0 109.691 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 47.0 t80 62.74 -42.55 0.18 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.961 -0.462 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' B' ' 70' ' ' ASP . 60.1 tt0 -65.39 -39.98 92.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.521 -1.362 . . . . 0.0 109.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 81.0 mt-10 -60.08 -40.03 88.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.923 -1.11 . . . . 0.0 108.339 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.678 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -61.24 -48.38 81.7 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.6 p -59.99 -39.96 81.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.786 -1.196 . . . . 0.0 111.333 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.56 -40.02 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.803 -1.186 . . . . 0.0 111.619 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.25 -57.5 5.88 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.773 -1.204 . . . . 0.0 111.435 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.678 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.8 m -70.06 -22.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.869 -1.144 . . . . 0.0 111.026 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -63.06 -49.41 74.65 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.704 -1.247 . . . . 0.0 109.206 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.42 76.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 112.221 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.73 -46.78 74.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.552 -1.343 . . . . 0.0 112.007 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.453 HG23 ' N ' ' B' ' 83' ' ' VAL . 14.2 t -69.52 -40.1 77.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.842 -1.161 . . . . 0.0 110.337 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 108.72 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.78 94.03 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.693 -0.63 . . . . 0.0 109.712 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.347 -0.845 . . . . 0.0 110.66 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.07 -40.13 88.44 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.683 -1.261 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.72 -24.5 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.212 -0.93 . . . . 0.0 109.672 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.03 -45.47 92.72 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.304 -0.872 . . . . 0.0 109.74 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--N 1.304 -1.412 0 O-C-N 121.23 -0.919 . . . . 0.0 109.295 179.186 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 6' ' ' THR . 17.5 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.296 0.57 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.63 -56.85 3.61 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.33 -0.856 . . . . 0.0 111.587 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.5 OUTLIER -60.9 -45.7 93.56 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.191 -0.943 . . . . 0.0 109.693 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 60.7 tt0 -63.15 -40.04 96.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.277 -0.89 . . . . 0.0 109.054 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 10' ' ' THR . 9.1 m -63.61 -21.07 66.16 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.53 -39.3 77.59 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.619 -0.675 . . . . 0.0 110.8 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.27 -36.52 29.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.638 -1.289 . . . . 0.0 110.401 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 64.2 mm-40 -69.9 -34.08 73.04 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.337 -0.852 . . . . 0.0 110.466 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.9 t -75.38 -45.03 41.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.392 -0.817 . . . . 0.0 112.054 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' N ' HG23 ' A' ' 10' ' ' THR . 2.8 pp -72.5 -28.33 62.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.119 -1.613 . . . . 0.0 109.221 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.99 -39.2 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.188 -0.945 . . . . 0.0 109.777 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.4 m-20 -70.04 -41.03 74.77 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.877 0.846 . . . . 0.0 110.33 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -27.74 23.14 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.5 m-85 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -85.86 -10.43 55.36 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.565 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.89 53.45 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.912 -1.117 . . . . 0.0 109.421 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.42 -21.59 14.23 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.391 -0.818 . . . . 0.0 111.446 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -67.59 -33.01 74.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.983 -1.073 . . . . 0.0 110.825 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.36 2.35 63.01 Favored Glycine 0 N--CA 1.498 2.772 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -70.05 -32.12 70.08 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.19 -7.44 42.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.636 -0.665 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.61 -15.05 64.15 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 27' ' ' LYS . 57.2 t0 -84.84 56.04 3.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.123 -1.222 . . . . 0.0 107.767 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -76.71 -7.13 54.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.948 -0.47 . . . . 0.0 110.902 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.93 -14.31 48.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.765 -1.209 . . . . 0.0 108.733 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' ASP . 16.4 ttmm -160.04 160.03 32.72 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.1 tp -83.51 163.96 20.13 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.824 -1.173 . . . . 0.0 108.115 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -136.82 167.83 20.71 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.717 -1.239 . . . . 0.0 110.822 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.97 -39.9 87.26 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.39 -0.819 . . . . 0.0 112.285 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -76.19 -29.99 57.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.43 -1.419 . . . . 0.0 110.335 -178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.32 -46.64 72.88 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.245 -0.91 . . . . 0.0 111.502 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -69.71 -35.68 75.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.274 -0.891 . . . . 0.0 110.845 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 85.7 tttt -60.11 -39.87 87.72 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.921 -1.112 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 60.1 t0 -62.21 -39.28 92.23 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.491 -0.756 . . . . 0.0 110.075 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.95 -39.15 87.19 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.332 -0.855 . . . . 0.0 111.722 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 44.3 mt -78.16 -43.18 29.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.425 -1.422 . . . . 0.0 111.472 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.73 -19.2 65.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.667 -0.645 . . . . 0.0 111.041 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 35' ' ' ASP . 5.0 t -94.99 -45.23 7.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.859 -1.151 . . . . 0.0 111.164 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 2.8 mt-10 -108.32 -34.24 6.86 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.737 -1.227 . . . . 0.0 112.859 -177.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.4 mp -112.41 26.59 10.42 Favored 'General case' 0 N--CA 1.516 2.843 0 O-C-N 121.019 -1.05 . . . . 0.0 110.747 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 t -60.02 -47.35 86.22 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 m -61.54 -40.08 93.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.145 -0.972 . . . . 0.0 111.367 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -79.8 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.81 -1.181 . . . . 0.0 109.559 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.5 mp -84.04 98.43 9.85 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.09 140.02 57.12 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 118.507 -1.277 . . . . 0.0 107.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.3 p -160.24 -53.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.118 . . . . 0.0 110.651 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' H ' HG13 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -59.92 -42.79 94.7 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.651 -178.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -71.91 -40.23 68.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.828 -1.17 . . . . 0.0 109.216 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -106.75 85.16 2.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.998 -1.064 . . . . 0.0 109.498 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.05 -20.88 57.38 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.128 -0.982 . . . . 0.0 108.631 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 19.4 p-10 -77.25 -19.9 55.94 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.722 -1.236 . . . . 0.0 108.05 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.85 76.75 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.2 p -76.31 -27.62 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.584 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.58 -40.07 84.84 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.403 1.097 . . . . 0.0 108.124 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.91 -40.14 75.78 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.388 1.089 . . . . 0.0 110.73 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mtp -73.53 -29.98 62.8 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.867 0.841 . . . . 0.0 109.223 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -50.79 -41.64 57.26 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.479 -0.763 . . . . 0.0 109.277 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 -30.06 64.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.026 -1.046 . . . . 0.0 109.727 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.9 mp -68.53 -160.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.315 -0.866 . . . . 0.0 109.69 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.601 ' C ' ' H ' ' A' ' 64' ' ' ASN . 65.6 t0 -64.38 58.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.817 . . . . 0.0 110.561 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' LEU . 33.5 tt0 -74.24 37.35 0.1 Allowed 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' A' ' 62' ' ' ASP . 8.0 t-20 -85.85 -4.97 59.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 11.07 15.59 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 68' ' ' GLU . 45.4 t0 -70.05 -44.18 69.69 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.729 -0.865 . . . . 0.0 110.527 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.11 -7.74 9.77 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.9 mt-10 -122.98 131.37 53.68 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 t -96.14 143.61 11.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.507 -0.745 . . . . 0.0 110.01 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.0 t70 -83.73 29.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.468 -0.77 . . . . 0.0 111.3 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 61.01 -57.3 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.684 -0.635 . . . . 0.0 111.258 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 tt0 -60.04 -39.39 85.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.711 -1.243 . . . . 0.0 109.734 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.879 -1.138 . . . . 0.0 109.894 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 78' ' ' VAL . 63.4 t80 -69.89 -47.74 61.33 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.34 -0.85 . . . . 0.0 113.232 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 4.3 p -59.99 -40.01 81.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.696 -1.253 . . . . 0.0 111.285 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' B' ' 76' ' ' VAL . 72.0 t -70.01 -39.96 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.646 -1.284 . . . . 0.0 111.293 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.37 -56.65 12.96 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.224 -0.923 . . . . 0.0 110.735 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.5 m -72.35 -20.98 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.407 -0.808 . . . . 0.0 111.293 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.31 -54.55 19.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.979 -1.076 . . . . 0.0 109.757 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.96 94.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.427 -0.796 . . . . 0.0 111.203 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.39 -41.85 97.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.788 -1.195 . . . . 0.0 111.109 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -69.2 -39.24 78.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.936 -1.103 . . . . 0.0 110.548 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.13 -42.33 89.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.402 -0.812 . . . . 0.0 109.63 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.99 78.19 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.48 -0.763 . . . . 0.0 110.061 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.77 -38.83 82.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.201 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -39.2 85.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.67 -39.96 91.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.029 -1.045 . . . . 0.0 109.478 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.32 -35.23 79.68 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.392 -0.818 . . . . 0.0 109.831 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.3 -1.554 0 O-C-N 121.336 -0.852 . . . . 0.0 109.131 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.26 0.552 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -82.88 -56.53 3.76 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.244 -0.91 . . . . 0.0 111.462 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.5 OUTLIER -60.75 -46.01 92.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.263 -0.898 . . . . 0.0 109.704 -178.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 60.2 tt0 -62.91 -40.06 96.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.357 -0.84 . . . . 0.0 109.08 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.562 ' O ' HG22 ' B' ' 10' ' ' THR . 11.8 m -63.79 -21.02 66.22 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.55 -39.19 77.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.643 -0.661 . . . . 0.0 110.853 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -81.18 -37.14 29.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.591 -1.318 . . . . 0.0 110.446 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 63.1 mm-40 -69.31 -33.95 73.93 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.365 -0.835 . . . . 0.0 110.601 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.562 HG22 ' O ' ' B' ' 6' ' ' THR . 10.1 t -75.68 -45.34 37.48 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 111.931 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.519 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -72.02 -28.44 63.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.075 -1.641 . . . . 0.0 109.154 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -70.06 -38.91 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.096 -1.003 . . . . 0.0 109.923 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -70.47 -40.73 73.5 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.93 0.871 . . . . 0.0 110.475 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -27.57 23.04 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 1.5 m-85 -64.34 -39.99 94.98 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -85.75 -10.75 55.08 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.26 54.93 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 120.932 -1.105 . . . . 0.0 109.458 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -102.68 -21.7 14.07 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.449 -0.782 . . . . 0.0 111.416 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 64.1 m -67.55 -32.83 73.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.017 -1.052 . . . . 0.0 110.805 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 2.57 62.55 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -70.03 -32.13 70.11 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -94.28 -7.4 42.06 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.582 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.8 -15.2 63.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' LYS . 57.3 t0 -84.82 55.98 3.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.125 -1.221 . . . . 0.0 107.861 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.61 -7.42 55.22 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.888 -0.507 . . . . 0.0 110.772 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -84.5 -14.53 48.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.213 . . . . 0.0 108.739 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 24' ' ' ASP . 16.1 ttmm -160.19 160.01 32.3 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 28' ' ' LEU . 37.4 tp -83.34 163.84 20.39 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.77 -1.206 . . . . 0.0 108.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -136.41 168.13 20.02 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.737 -1.227 . . . . 0.0 110.679 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.355 -0.841 . . . . 0.0 112.329 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -76.25 -29.94 57.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.487 -1.383 . . . . 0.0 110.432 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.37 -46.77 72.38 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.321 -0.862 . . . . 0.0 111.485 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.1 pp -69.65 -35.47 75.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 110.939 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.06 -40.05 88.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.98 -1.075 . . . . 0.0 109.352 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.731 ' O ' HG22 ' B' ' 39' ' ' THR . 60.7 t0 -62.86 -37.4 86.7 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.474 -0.766 . . . . 0.0 110.354 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.34 -38.94 81.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 111.742 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 42' ' ' SER . 40.0 mt -78.4 -43.34 27.71 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.416 -1.428 . . . . 0.0 111.42 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -65.19 -19.86 66.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.619 -0.676 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.731 HG22 ' O ' ' B' ' 35' ' ' ASP . 5.0 t -94.54 -45.02 7.58 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.775 -1.203 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 2.8 mt-10 -108.35 -34.58 6.76 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.659 -1.276 . . . . 0.0 112.867 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.5 mp -112.18 26.66 10.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.037 -1.039 . . . . 0.0 110.716 -177.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' B' ' 37' ' ' LEU . 14.3 t -59.92 -47.62 85.03 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.344 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -61.53 -40.0 93.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.252 -0.905 . . . . 0.0 111.523 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.81 -69.67 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.743 -1.223 . . . . 0.0 109.502 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.8 mp -84.35 98.21 9.89 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.97 139.93 57.09 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.613 -1.235 . . . . 0.0 107.884 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.482 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.4 p -160.37 -53.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.92 -1.113 . . . . 0.0 110.646 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.482 ' H ' HG13 ' B' ' 47' ' ' VAL . 0.0 OUTLIER -60.0 -42.59 94.59 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.879 -1.128 . . . . 0.0 109.617 -178.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.449 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -72.11 -39.97 68.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.766 -1.208 . . . . 0.0 109.14 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -106.77 84.91 2.07 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.011 -1.056 . . . . 0.0 109.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.582 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.09 -20.51 54.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.12 -0.988 . . . . 0.0 108.694 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -77.59 -19.95 54.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.714 -1.241 . . . . 0.0 108.015 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.76 76.58 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.582 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.2 p -76.3 -27.43 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.509 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -67.92 -40.1 83.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.413 1.101 . . . . 0.0 108.11 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.92 -40.08 75.78 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.347 1.07 . . . . 0.0 110.74 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -39.97 84.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtp -73.47 -29.88 62.81 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.861 . . . . 0.0 109.356 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -50.77 -41.82 57.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.554 -0.717 . . . . 0.0 109.24 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -72.11 -30.17 64.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.021 . . . . 0.0 109.881 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.7 mp -68.5 -160.43 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.28 -0.887 . . . . 0.0 109.55 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 64' ' ' ASN . 65.4 t0 -64.46 57.97 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 0.0 110.534 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 32.8 tt0 -74.3 37.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' B' ' 62' ' ' ASP . 7.9 t-20 -86.0 -4.94 59.28 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 10.88 16.0 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.7 t0 -70.0 -44.42 69.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.786 -0.832 . . . . 0.0 110.579 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 -8.12 10.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 106.793 -2.523 . . . . 0.0 106.793 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.4 mt-10 -122.69 131.48 53.81 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 t -96.3 143.74 11.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.519 -0.738 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' B' ' 72' ' ' GLN . 8.0 t70 -84.15 30.27 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 111.29 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 60.9 -57.24 0.09 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.736 -0.602 . . . . 0.0 111.319 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.7 tt0 -60.03 -39.56 86.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.696 -1.253 . . . . 0.0 109.77 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.871 -1.143 . . . . 0.0 109.98 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.813 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.9 t80 -69.84 -47.7 61.72 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.4 p -60.1 -39.91 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.114 -176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' A' ' 76' ' ' VAL . 74.2 t -69.82 -40.0 78.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.088 -1.008 . . . . 0.0 111.176 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.78 -56.67 12.14 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.087 -1.008 . . . . 0.0 110.873 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.813 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -72.32 -20.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.46 -0.775 . . . . 0.0 111.187 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.46 -54.58 19.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.067 -1.021 . . . . 0.0 109.842 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.1 95.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 111.103 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.72 -42.36 97.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.811 -1.18 . . . . 0.0 111.114 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -68.86 -39.65 79.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.879 -1.138 . . . . 0.0 110.445 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.86 -42.17 88.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.514 -0.741 . . . . 0.0 109.588 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.98 78.26 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.78 -38.95 83.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.898 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.01 -39.15 84.82 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.507 -0.745 . . . . 0.0 110.224 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.75 -40.04 91.67 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.892 -1.13 . . . . 0.0 109.464 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.19 -35.24 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.399 -0.813 . . . . 0.0 109.868 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 0.0 109.112 -179.431 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 6' ' ' THR . 70.6 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' B' ' 41' ' ' LEU . 59.4 tp -69.95 -40.04 75.67 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.32 -40.01 89.65 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.726 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.62 ' O ' HG22 ' A' ' 10' ' ' THR . 18.1 m -66.68 -21.03 66.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.22 -39.6 78.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.361 0.6 . . . . 0.0 110.593 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 8' ' ' MET . 1.2 mpt? -81.82 -39.14 24.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.595 -1.316 . . . . 0.0 110.522 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 78.5 mm-40 -69.64 -28.13 65.64 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 120.918 -1.114 . . . . 0.0 110.907 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 6' ' ' THR . 9.6 t -80.15 -47.66 14.39 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.464 -0.772 . . . . 0.0 111.852 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -68.32 -27.95 66.73 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 117.864 -1.534 . . . . 0.0 108.589 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 8' ' ' MET . 6.0 mm -70.04 -40.07 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 121.593 0.711 . . . . 0.0 110.27 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 12.6 m120 -67.05 -39.95 87.03 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.976 0.893 . . . . 0.0 109.778 -178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -28.5 20.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -89.93 -10.0 46.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.04 56.59 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 119.151 -1.02 . . . . 0.0 109.043 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -101.27 -38.57 8.02 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.477 -0.764 . . . . 0.0 111.213 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -60.11 -35.88 76.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.042 -1.036 . . . . 0.0 110.44 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.74 6.71 77.22 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -84.49 -25.39 28.91 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.619 -0.93 . . . . 0.0 109.629 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -96.77 -7.02 34.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.437 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.08 -25.59 26.31 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.33 61.72 2.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.14 -15.12 57.78 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.456 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -83.24 -14.72 52.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.871 -1.143 . . . . 0.0 109.172 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.61 153.7 33.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.231 -0.918 . . . . 0.0 109.702 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -82.66 165.79 19.7 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.6 m -133.58 162.86 30.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.983 -1.073 . . . . 0.0 110.094 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.72 -39.97 86.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.288 -0.882 . . . . 0.0 110.922 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -78.18 -32.02 49.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.606 -1.309 . . . . 0.0 110.449 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.49 -47.07 87.31 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.138 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.6 pp -69.48 -31.82 70.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' LEU . 58.5 tttm -65.26 -32.53 74.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.081 -1.012 . . . . 0.0 109.683 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 39' ' ' THR . 11.6 t70 -67.88 -40.03 83.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.358 -0.839 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.71 -40.08 84.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.18 -0.95 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.6 -43.87 58.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.741 -1.225 . . . . 0.0 111.622 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.31 -21.67 63.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.323 -0.861 . . . . 0.0 109.485 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.0 p -80.01 -52.33 7.96 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.24 -0.912 . . . . 0.0 111.456 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 41' ' ' LEU . 22.6 mm-40 -113.65 -27.36 7.87 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.052 -1.03 . . . . 0.0 113.252 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 40' ' ' GLU . 6.2 mp -110.65 23.97 13.54 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 120.867 -1.145 . . . . 0.0 110.972 -177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.7 p -59.97 -37.98 81.18 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.037 -1.039 . . . . 0.0 110.26 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 t -68.9 -41.35 78.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.058 -1.026 . . . . 0.0 111.171 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.97 -70.01 0.55 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.686 -1.259 . . . . 0.0 110.404 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.1 mp -81.65 93.66 6.8 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 32.0 p-10 -58.03 92.46 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.4 p -106.35 -18.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.452 -0.78 . . . . 0.0 109.974 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.31 -57.74 2.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 111.643 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.94 -49.36 77.97 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.952 -177.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 92.3 m-20 -95.28 78.4 3.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.345 -1.472 . . . . 0.0 109.665 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.95 -19.67 19.33 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -67.76 -34.88 77.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.643 -0.661 . . . . 0.0 109.313 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.0 p -78.23 -29.05 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.339 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -65.46 -39.89 92.55 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.547 1.165 . . . . 0.0 108.176 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.93 -40.02 75.76 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.655 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.673 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -177.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.0 ppp? -83.04 -25.69 31.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.586 -1.321 . . . . 0.0 110.46 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -35.47 75.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.6 mp -80.58 -69.94 0.56 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.706 0.765 . . . . 0.0 110.332 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 92.7 m-20 -69.17 44.62 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.749 -0.594 . . . . 0.0 110.224 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' LEU . 58.2 mm-40 -57.66 -18.13 18.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -80.04 -3.21 47.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.79 32.7 85.09 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.9 p-10 -90.05 -0.07 57.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.008 -1.29 . . . . 0.0 110.606 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.21 4.35 0.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -128.55 139.66 52.18 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.95 147.37 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 CA-C-O 121.57 0.7 . . . . 0.0 110.296 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 84.7 m-20 -81.77 8.23 10.62 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.564 -0.71 . . . . 0.0 111.354 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 18.0 t80 82.01 -60.63 0.19 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.799 -0.563 . . . . 0.0 111.235 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.96 -36.89 78.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.036 -1.04 . . . . 0.0 110.179 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -60.03 -39.91 87.5 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.905 -1.122 . . . . 0.0 108.592 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 78' ' ' VAL . 64.7 t80 -68.98 -40.11 79.01 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 112.772 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.1 p -60.02 -40.14 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.204 -1.56 . . . . 0.0 110.201 -177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.02 -39.69 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 110.388 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG13 ' A' ' 57' ' ' ILE . 26.4 tp -59.93 -56.8 17.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.445 -0.784 . . . . 0.0 112.483 -176.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 74' ' ' PHE . 10.1 m -79.94 -20.46 12.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.815 . . . . 0.0 111.159 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.45 -46.78 72.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.828 -1.17 . . . . 0.0 109.363 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.92 -40.04 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.018 -1.051 . . . . 0.0 110.943 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.99 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.998 -1.064 . . . . 0.0 110.9 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.9 m -61.47 -40.09 93.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.396 -0.815 . . . . 0.0 110.924 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.96 -42.96 91.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.411 -0.806 . . . . 0.0 109.553 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.34 85.18 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.563 -0.711 . . . . 0.0 109.883 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.79 . . . . 0.0 110.185 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.77 -38.62 78.89 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.12 -20.67 55.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.903 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.03 -42.22 93.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.046 -1.034 . . . . 0.0 110.332 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.127 -0.983 . . . . 0.0 109.659 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.468 ' O ' ' N ' ' B' ' 6' ' ' THR . 70.7 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' B' ' 3' ' ' GLU . 75.2 mt-10 -60.11 -49.28 78.29 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' A' ' 41' ' ' LEU . 59.0 tp -69.91 -40.06 75.8 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.33 -39.91 89.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.614 ' O ' HG22 ' B' ' 10' ' ' THR . 18.7 m -66.6 -21.18 66.13 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.21 -39.47 78.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.683 -0.636 . . . . 0.0 110.639 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 8' ' ' MET . 1.2 mpt? -81.83 -39.27 24.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.688 -1.258 . . . . 0.0 110.426 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 78.4 mm-40 -69.48 -28.32 65.98 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.942 -1.099 . . . . 0.0 110.95 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.614 HG22 ' O ' ' B' ' 6' ' ' THR . 9.6 t -79.96 -47.61 14.71 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.499 -0.751 . . . . 0.0 111.923 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.581 ' N ' HG23 ' B' ' 10' ' ' THR . 2.8 pp -68.56 -27.76 66.36 Favored 'General case' 0 C--O 1.201 -1.447 0 C-N-CA 117.962 -1.495 . . . . 0.0 108.445 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' B' ' 8' ' ' MET . 5.6 mm -70.46 -39.68 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.645 -0.659 . . . . 0.0 110.28 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 12.9 m120 -67.5 -39.98 85.19 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.969 0.89 . . . . 0.0 109.705 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -28.47 21.4 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -33.55 74.32 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -89.62 -10.2 46.86 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.51 59.81 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.137 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -101.07 -38.63 8.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.553 -0.717 . . . . 0.0 111.272 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.3 t -60.01 -36.03 76.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.006 -1.059 . . . . 0.0 110.389 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.71 6.72 77.31 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.4 -25.31 29.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.505 -0.997 . . . . 0.0 109.64 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.75 -7.0 34.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.292 -0.88 . . . . 0.0 110.452 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.01 -25.47 26.76 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.3 61.59 2.79 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.01 -15.11 57.89 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -83.22 -14.74 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.875 -1.14 . . . . 0.0 109.123 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.76 153.55 33.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.7 tp -82.48 165.77 19.91 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.5 m -133.23 163.56 29.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.844 -1.16 . . . . 0.0 110.019 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.428 -0.795 . . . . 0.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -78.23 -32.37 49.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.707 -1.246 . . . . 0.0 110.467 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.22 -47.1 87.63 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.356 -0.84 . . . . 0.0 110.151 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.5 pp -69.59 -31.77 70.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.426 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.1 tttm -65.23 -32.35 73.98 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.016 -1.053 . . . . 0.0 109.615 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.574 ' O ' HG23 ' B' ' 39' ' ' THR . 11.9 t70 -68.59 -38.71 80.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.345 -0.847 . . . . 0.0 110.317 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.59 -40.0 80.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 111.22 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -74.05 -43.67 56.97 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 111.507 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.19 -21.91 63.93 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.345 -0.847 . . . . 0.0 109.374 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.91 -52.32 8.02 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.537 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' HB2' HD12 ' B' ' 41' ' ' LEU . 23.3 mm-40 -113.49 -27.32 7.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.087 -1.008 . . . . 0.0 113.154 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.2 mp -110.7 24.04 13.45 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 120.822 -1.173 . . . . 0.0 111.019 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 p -60.05 -38.07 81.69 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.045 -1.035 . . . . 0.0 110.154 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -68.45 -41.69 79.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.148 -0.97 . . . . 0.0 111.23 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -79.98 -69.99 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 110.442 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.434 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.2 mp -81.56 93.6 6.73 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 31.8 p-10 -58.02 92.73 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 109.594 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.4 p -106.59 -18.07 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.467 -0.771 . . . . 0.0 109.862 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.21 -57.86 2.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.905 -1.122 . . . . 0.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.497 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.95 -49.27 78.34 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.043 -177.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.0 m-20 -95.38 78.05 3.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.351 -1.468 . . . . 0.0 109.779 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.55 -19.77 17.35 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -74.87 -21.54 59.18 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -67.4 -35.4 79.23 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' B' ' 51' ' ' ALA . 2.9 p -78.2 -28.57 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.469 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.57 -39.91 92.18 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.573 1.178 . . . . 0.0 108.161 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.14 -39.96 75.09 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.519 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.68 HG13 HD21 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -64.59 -39.98 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.914 -0.491 . . . . 0.0 110.454 -177.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.0 ppp? -82.96 -25.73 32.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.548 -1.345 . . . . 0.0 110.408 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.93 -40.62 89.52 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -35.76 75.72 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 2.3 mp -80.46 -70.1 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.715 0.769 . . . . 0.0 110.207 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 92.4 m-20 -68.74 44.46 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.751 -0.593 . . . . 0.0 110.342 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' B' ' 61' ' ' LEU . 58.4 mm-40 -57.62 -18.23 18.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.97 -3.57 48.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.16 32.77 85.01 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.9 p-10 -90.15 -0.43 57.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.082 -1.246 . . . . 0.0 110.469 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.44 4.3 0.35 Allowed Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.3 mt-10 -128.41 139.52 52.32 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.94 147.31 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.634 0.731 . . . . 0.0 110.169 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 84.5 m-20 -81.81 8.19 10.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.73 . . . . 0.0 111.386 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' B' ' 70' ' ' ASP . 18.0 t80 82.16 -60.49 0.18 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.787 -0.571 . . . . 0.0 111.207 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.01 -37.06 78.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 110.115 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.912 -1.117 . . . . 0.0 108.562 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.5 t80 -68.99 -40.1 78.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.561 -0.712 . . . . 0.0 112.843 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -60.05 -40.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.097 -1.627 . . . . 0.0 110.136 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.99 -39.92 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.007 -1.058 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.68 HD21 HG13 ' B' ' 57' ' ' ILE . 26.2 tp -59.9 -56.81 17.1 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.404 -0.81 . . . . 0.0 112.619 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' B' ' 74' ' ' PHE . 7.4 m -79.98 -20.38 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 111.057 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.57 -46.63 72.1 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.816 -1.177 . . . . 0.0 109.31 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.017 . . . . 0.0 110.961 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.02 -49.98 75.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.017 -1.052 . . . . 0.0 110.799 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -61.59 -39.97 93.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.329 -0.857 . . . . 0.0 110.805 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -59.99 -42.89 91.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 O-C-N 121.379 -0.826 . . . . 0.0 109.567 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.21 85.06 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -59.94 -39.94 87.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.598 -0.689 . . . . 0.0 110.304 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.87 -38.77 79.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.845 -1.159 . . . . 0.0 108.476 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.0 -20.73 55.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.11 -42.16 94.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.0 110.19 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.139 -0.975 . . . . 0.0 109.728 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 121.411 0.624 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' HG1' ' B' ' 10' ' ' THR . 72.2 mt-10 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.783 . . . . 0.0 109.542 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -71.09 -39.47 72.11 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.73 -40.06 96.02 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.604 0.716 . . . . 0.0 109.077 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 10' ' ' THR . 16.4 m -64.53 -21.94 66.83 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.23 -35.07 75.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.49 -0.756 . . . . 0.0 110.257 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 mtm -79.72 -34.81 39.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.338 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.74 -37.91 76.65 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.524 -0.735 . . . . 0.0 110.547 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.5 t -73.05 -53.15 11.83 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.576 -0.703 . . . . 0.0 111.871 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.598 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -63.3 -31.08 72.14 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 120.521 -1.362 . . . . 0.0 109.46 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.92 -31.97 49.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 120.526 -1.359 . . . . 0.0 109.519 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -70.98 -44.66 65.5 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.531 -0.731 . . . . 0.0 110.691 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 m -70.96 -28.61 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.43 -41.43 96.58 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.734 0.778 . . . . 0.0 109.095 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -89.54 -9.17 50.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.43 -40.01 64.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.213 -0.929 . . . . 0.0 108.729 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.964 ' CE1' HD11 ' A' ' 36' ' ' LEU . 5.9 p-80 -98.2 -43.12 7.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.549 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 72.6 m -55.34 -27.88 50.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 108.967 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.38 85.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -68.53 -40.09 80.88 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -109.95 93.25 4.4 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.04 -12.68 67.74 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -60.13 -48.92 79.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.964 -1.315 . . . . 0.0 108.041 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -82.25 127.84 33.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 61.8 t80 -94.37 48.58 1.24 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.97 165.94 26.76 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 29' ' ' SER . 42.3 tp -80.87 167.12 20.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.753 -1.217 . . . . 0.0 107.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.2 t -136.95 165.33 26.24 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.971 -1.081 . . . . 0.0 110.329 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -59.28 -39.98 84.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.711 . . . . 0.0 111.183 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -74.5 -32.78 62.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.757 -1.214 . . . . 0.0 110.493 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 41.2 mt-10 -60.84 -53.8 52.88 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.821 0.819 . . . . 0.0 110.558 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -33.12 74.67 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.143 -0.973 . . . . 0.0 110.807 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.6 -39.9 95.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.921 -1.112 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 26.8 t0 -61.7 -41.15 97.2 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 110.399 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 ' CE1' ' A' ' 18' ' ' HIS . 78.4 mt -63.03 -40.0 96.41 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 112.079 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 45' ' ' LEU . 79.6 mt -77.4 -40.89 42.06 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.813 -1.179 . . . . 0.0 111.229 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.74 -19.99 61.28 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 109.29 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.2 p -77.56 -58.47 3.25 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.289 -0.882 . . . . 0.0 111.136 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 12.3 mt-10 -110.67 -28.9 8.24 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.04 -1.037 . . . . 0.0 112.342 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -110.28 29.42 7.69 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 120.802 -1.186 . . . . 0.0 110.801 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.453 ' OG ' ' NE2' ' A' ' 48' ' ' GLN . 8.5 t -59.94 -46.96 87.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.931 -1.105 . . . . 0.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.0 t -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 111.47 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.724 -1.235 . . . . 0.0 110.309 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' O ' HG12 ' A' ' 47' ' ' VAL . 77.4 mt -82.34 95.39 7.6 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.03 140.07 57.04 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.469 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -162.37 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.0 -1.063 . . . . 0.0 109.991 -178.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.696 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.7 pt20 -43.53 -40.46 3.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.666 -0.646 . . . . 0.0 110.557 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.14 -42.67 65.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.88 -1.137 . . . . 0.0 109.348 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -103.52 87.13 2.77 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.072 -1.017 . . . . 0.0 108.855 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -61.03 -24.45 66.19 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.263 -0.898 . . . . 0.0 108.973 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.6 -23.04 61.65 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.428 -1.42 . . . . 0.0 107.79 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.17 85.2 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.1 p -70.09 -29.53 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.359 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -66.28 -38.59 88.16 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 122.426 1.108 . . . . 0.0 108.545 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -39.01 83.48 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.769 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 pt -80.06 -29.06 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.079 -1.013 . . . . 0.0 111.444 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.494 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -80.5 -27.07 37.83 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.474 -1.391 . . . . 0.0 108.462 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' SD ' ' A' ' 58' ' ' MET . 29.3 ttmt -65.72 -46.76 77.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.56 -0.713 . . . . 0.0 109.709 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -60.06 -40.04 88.11 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -74.15 -58.51 3.25 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.651 0.739 . . . . 0.0 109.315 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 94.7 m-20 -82.46 25.4 0.63 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LYS . 18.0 pt-20 -50.64 -19.02 0.8 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.225 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -74.49 4.8 5.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 110.776 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.63 43.09 19.89 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 68' ' ' GLU . 18.7 p-10 -141.68 95.97 2.9 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.82 26.34 0.01 OUTLIER Glycine 0 N--CA 1.507 3.385 0 O-C-N 121.879 -0.513 . . . . 0.0 111.998 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 66' ' ' ASP . 95.9 mt-10 -128.81 128.31 43.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 71' ' ' PHE . 46.7 t -95.8 154.21 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.19 -0.944 . . . . 0.0 110.939 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 39.5 t0 -95.77 16.26 17.97 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.356 -0.84 . . . . 0.0 112.316 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 2.4 m-85 81.8 -63.94 0.15 Allowed 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.229 -0.92 . . . . 0.0 112.112 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.07 -39.42 85.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.943 -1.098 . . . . 0.0 110.334 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.08 -40.06 88.24 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.678 -1.264 . . . . 0.0 109.523 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 78' ' ' VAL . 90.3 t80 -68.44 -50.84 49.68 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.0 -38.58 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 O-C-N 120.817 -1.177 . . . . 0.0 111.254 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 76' ' ' VAL . 54.1 t -65.33 -40.01 87.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.56 -1.337 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.24 -58.48 4.35 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.002 -1.061 . . . . 0.0 112.574 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.05 -23.81 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.379 -0.826 . . . . 0.0 111.019 -178.175 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.46 72.58 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.003 -1.06 . . . . 0.0 110.377 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.3 81.82 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.213 -0.93 . . . . 0.0 111.168 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.45 -39.84 85.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.666 -1.271 . . . . 0.0 110.473 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' VAL . 66.9 p -69.83 -46.59 65.29 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.917 -1.114 . . . . 0.0 111.966 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.6 p -62.77 -40.0 86.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 120.521 -1.362 . . . . 0.0 109.098 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.46 -39.95 92.75 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.684 -0.635 . . . . 0.0 110.914 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 14.9 p -66.04 -40.09 90.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.913 -1.117 . . . . 0.0 110.346 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.9 t-20 -59.96 -40.11 87.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.875 -1.141 . . . . 0.0 109.472 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.74 -27.27 63.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.375 -0.828 . . . . 0.0 109.397 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.98 -44.26 94.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.393 -0.817 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.211 179.416 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 121.498 0.666 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.511 ' C ' ' HG1' ' A' ' 10' ' ' THR . 70.5 mt-10 -59.98 -50.05 75.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.401 -0.812 . . . . 0.0 109.509 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.474 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -71.0 -39.5 72.38 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.76 -40.05 96.07 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.523 ' O ' HG22 ' B' ' 10' ' ' THR . 16.4 m -64.54 -21.89 66.81 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.98 -34.99 76.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.545 -0.722 . . . . 0.0 110.414 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -80.41 -34.64 36.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.028 -1.045 . . . . 0.0 110.367 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.55 -38.2 77.35 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.606 0.717 . . . . 0.0 110.432 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.593 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.4 t -73.07 -53.39 11.22 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.572 -0.705 . . . . 0.0 111.81 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.593 ' N ' HG23 ' B' ' 10' ' ' THR . 2.9 pp -62.98 -31.08 72.13 Favored 'General case' 0 C--O 1.198 -1.609 0 O-C-N 120.428 -1.42 . . . . 0.0 109.436 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.0 -31.7 48.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 120.452 -1.405 . . . . 0.0 109.663 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -71.58 -44.25 64.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.0 110.807 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -70.61 -29.09 36.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 10.1 t80 -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.731 0.777 . . . . 0.0 109.138 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.74 -8.59 51.91 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.97 63.74 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.3 -0.875 . . . . 0.0 108.742 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.958 ' CE1' HD11 ' B' ' 36' ' ' LEU . 5.9 p-80 -98.31 -43.05 7.1 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.212 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 73.8 m -55.38 -27.85 50.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.366 -0.834 . . . . 0.0 109.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.34 85.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -68.65 -40.01 80.44 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -109.94 93.34 4.45 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.98 -12.87 67.54 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.01 -49.11 78.96 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.943 -1.328 . . . . 0.0 108.113 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 127.57 33.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.121 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 62.8 t80 -94.0 47.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.87 165.28 27.93 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' B' ' 29' ' ' SER . 42.6 tp -80.26 167.01 20.82 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.724 -1.235 . . . . 0.0 108.016 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 19.3 t -136.22 166.42 23.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.298 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.0 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.784 -0.573 . . . . 0.0 111.334 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -74.61 -32.95 62.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.909 -1.119 . . . . 0.0 110.565 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 29' ' ' SER . 41.6 mt-10 -60.69 -54.0 50.65 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.815 0.817 . . . . 0.0 110.524 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -62.59 -33.66 75.43 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 110.856 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.11 -40.04 94.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.801 -1.187 . . . . 0.0 110.44 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.617 ' O ' HG23 ' B' ' 39' ' ' THR . 26.4 t0 -61.97 -40.02 94.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.641 0.734 . . . . 0.0 110.669 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.958 HD11 ' CE1' ' B' ' 18' ' ' HIS . 76.5 mt -64.04 -40.03 95.4 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.994 -177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.32 -41.01 42.22 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.832 -1.168 . . . . 0.0 111.252 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.51 -20.01 61.43 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.312 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.617 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -77.47 -58.75 3.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.264 -0.898 . . . . 0.0 111.123 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.6 mt-10 -110.56 -28.86 8.3 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.953 -1.092 . . . . 0.0 112.291 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.493 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -110.1 29.32 7.76 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.921 -1.112 . . . . 0.0 110.859 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.449 ' OG ' ' NE2' ' B' ' 48' ' ' GLN . 8.6 t -59.99 -46.85 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.897 -1.127 . . . . 0.0 110.578 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.1 t -64.71 -40.01 94.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.247 -0.908 . . . . 0.0 111.479 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.858 -1.151 . . . . 0.0 110.326 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.472 ' O ' HG12 ' B' ' 47' ' ' VAL . 77.4 mt -82.38 95.34 7.61 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.0 140.0 57.06 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.473 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.694 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -162.35 -68.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.018 . . . . 0.0 110.074 -178.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.694 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.0 pt20 -43.95 -40.48 4.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.548 -0.72 . . . . 0.0 110.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -71.95 -42.21 66.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.857 -1.152 . . . . 0.0 109.407 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -103.77 86.68 2.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.191 -0.943 . . . . 0.0 108.947 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -61.06 -24.42 66.2 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.961 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -71.41 -23.48 61.88 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.462 -1.399 . . . . 0.0 107.813 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.6 p -69.44 -29.42 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.351 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -66.53 -38.35 86.98 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 122.52 1.152 . . . . 0.0 108.447 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -40.0 84.62 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.656 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pt -79.82 -28.39 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.883 -1.136 . . . . 0.0 111.538 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -80.59 -26.99 37.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.405 -1.435 . . . . 0.0 108.43 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.446 ' N ' ' SD ' ' B' ' 58' ' ' MET . 28.6 ttmt -66.07 -46.36 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.701 . . . . 0.0 109.608 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.2 -40.01 88.55 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -74.25 -58.4 3.32 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.636 0.731 . . . . 0.0 109.277 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 94.7 m-20 -82.59 25.48 0.64 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.554 -0.717 . . . . 0.0 109.118 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -50.88 -18.36 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.278 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' B' ' 62' ' ' ASP . 23.4 t-20 -74.91 4.66 6.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.425 -0.797 . . . . 0.0 110.668 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.97 19.61 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.6 p-10 -141.71 96.06 2.91 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.91 26.45 0.01 OUTLIER Glycine 0 N--CA 1.507 3.392 0 O-C-N 121.894 -0.504 . . . . 0.0 112.003 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.67 ' N ' ' O ' ' B' ' 66' ' ' ASP . 95.9 mt-10 -128.92 128.01 42.92 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 71' ' ' PHE . 46.4 t -95.58 154.4 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.247 -0.908 . . . . 0.0 110.977 -177.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 38.7 t0 -95.81 16.11 18.45 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.299 -0.876 . . . . 0.0 112.258 -177.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 2.4 m-85 81.99 -64.05 0.14 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.118 -0.989 . . . . 0.0 112.016 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.95 -39.7 86.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.897 -1.127 . . . . 0.0 110.264 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -59.96 -40.06 87.73 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.707 -1.245 . . . . 0.0 109.534 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.489 ' O ' HG22 ' B' ' 78' ' ' VAL . 90.5 t80 -68.49 -50.87 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.406 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.2 p -59.95 -39.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 120.795 -1.191 . . . . 0.0 111.073 -176.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 76' ' ' VAL . 53.6 t -64.3 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 120.796 -1.19 . . . . 0.0 111.108 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.77 -58.49 4.13 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.891 -1.131 . . . . 0.0 112.588 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -70.07 -23.61 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.442 -0.786 . . . . 0.0 111.041 -178.022 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.1 -43.2 71.55 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.116 -0.99 . . . . 0.0 110.276 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.127 -0.983 . . . . 0.0 111.056 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.842 -1.161 . . . . 0.0 110.657 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' O ' ' B' ' 78' ' ' VAL . 78.6 p -69.64 -47.17 64.32 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.887 -1.133 . . . . 0.0 111.831 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.4 p -62.12 -39.98 85.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.413 -1.43 . . . . 0.0 109.232 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.52 -40.1 93.42 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.541 -0.724 . . . . 0.0 110.847 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 14.7 p -65.81 -40.08 91.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.86 -1.15 . . . . 0.0 110.336 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.505 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 28.9 t-20 -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.069 -1.019 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.72 -27.39 63.94 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.348 -0.845 . . . . 0.0 109.416 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.91 -44.34 94.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.387 -0.821 . . . . 0.0 109.817 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 109.21 179.436 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 10' ' ' THR . 34.2 tt0 -59.65 -50.15 74.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.9 OUTLIER -72.32 -39.73 67.99 Favored 'General case' 0 C--N 1.285 -2.22 0 O-C-N 120.654 -1.278 . . . . 0.0 108.508 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.17 -40.19 89.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 10' ' ' THR . 20.4 m -60.75 -22.95 64.58 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -68.94 -35.12 76.42 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' HD21 ' B' ' 41' ' ' LEU . 68.8 mtp -74.57 -37.59 62.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.78 -1.2 . . . . 0.0 109.573 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 94.7 mt-10 -68.17 -38.99 82.68 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.71 0.767 . . . . 0.0 111.374 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.8 t -73.71 -51.76 15.5 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 10' ' ' THR . 2.5 pp -69.3 -25.75 64.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.135 -1.603 . . . . 0.0 108.833 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.63 -28.78 22.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.045 -1.035 . . . . 0.0 108.999 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 96.2 m-20 -73.05 -40.42 65.12 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.735 0.779 . . . . 0.0 109.402 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 36' ' ' LEU . 1.2 t -70.42 -34.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.613 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 37.6 t80 -60.33 -42.13 94.99 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -85.58 -9.26 57.59 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.71 -38.08 48.1 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.939 -1.101 . . . . 0.0 109.917 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.403 ' ND1' HD21 ' A' ' 36' ' ' LEU . 78.7 m80 -103.53 -37.7 7.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.279 -0.888 . . . . 0.0 110.858 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -56.45 -28.45 59.61 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.175 -0.953 . . . . 0.0 110.406 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.43 0.06 61.4 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.55 -31.35 63.59 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.534 -0.98 . . . . 0.0 109.543 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -95.03 -5.91 43.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.0 111.632 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.89 -11.38 70.73 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' TYR . 99.6 m-20 -84.43 25.12 0.91 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 23' ' ' GLY . 25.3 ttmt -42.88 -13.21 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.206 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' N ' ' O ' ' A' ' 24' ' ' ASP . 94.4 m-85 -90.1 -15.55 31.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.607 -1.308 . . . . 0.0 109.416 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -148.68 150.2 32.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.017 -1.052 . . . . 0.0 109.943 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.4 165.68 19.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.08 -1.013 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -136.49 164.5 28.03 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.732 -1.23 . . . . 0.0 110.504 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.96 -39.95 87.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.512 -0.742 . . . . 0.0 111.325 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 10.5 tmtt? -77.0 -32.13 56.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.647 -1.283 . . . . 0.0 110.421 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.73 -49.99 74.21 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.768 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -70.66 -33.81 71.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 111.451 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 50.0 tttm -60.37 -37.35 80.47 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 120.805 -1.185 . . . . 0.0 109.078 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 39' ' ' THR . 70.1 m-20 -66.41 -39.82 89.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 110.116 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 14' ' ' VAL . 72.2 mt -61.45 -40.18 93.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.102 -0.999 . . . . 0.0 110.571 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 42' ' ' SER . 21.6 mt -73.51 -40.1 64.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.969 -1.082 . . . . 0.0 110.13 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 28.0 mt-30 -69.92 -22.3 63.21 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.561 0.696 . . . . 0.0 109.697 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' ASP . 22.6 p -90.45 -53.16 4.56 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 112.788 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.1 mt-10 -109.96 -32.39 7.05 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.73 -1.231 . . . . 0.0 112.709 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -111.5 26.51 10.58 Favored 'General case' 0 N--CA 1.516 2.825 0 O-C-N 120.898 -1.126 . . . . 0.0 109.808 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' LEU . 55.1 p -60.39 -40.08 89.64 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.167 -0.958 . . . . 0.0 111.102 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.22 -40.56 86.43 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.913 -1.117 . . . . 0.0 111.782 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -76.45 -68.62 0.57 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.681 -1.262 . . . . 0.0 109.842 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.9 mp -81.02 98.52 8.0 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 82.4 m-20 -62.95 80.9 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.999 -0.68 . . . . 0.0 110.083 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -94.04 -15.01 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.62 -0.675 . . . . 0.0 109.591 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -80.13 -69.42 0.59 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 112.248 -178.136 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.18 -50.24 71.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 110.474 -176.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.7 m-20 -93.45 77.17 4.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.258 -1.526 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.09 -21.3 21.29 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 63.4 t0 -70.15 -26.88 64.13 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.38 -32.54 73.36 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -75.53 -30.43 22.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.634 -0.666 . . . . 0.0 110.022 -179.327 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -70.25 -39.5 74.98 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 109.012 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HZ2' ' HA ' ' A' ' 53' ' ' ALA . 10.1 mtmp? -69.69 -39.89 76.67 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.175 0.988 . . . . 0.0 109.902 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.66 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.84 -38.95 84.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ASP . 91.0 mmm -71.51 -30.41 65.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.153 -0.967 . . . . 0.0 109.689 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -55.32 -40.64 71.38 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.63 -34.53 78.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.8 mp -81.71 -70.04 0.57 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.508 0.67 . . . . 0.0 110.564 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' MET . 91.0 m-20 -74.49 34.87 0.1 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.528 -0.732 . . . . 0.0 109.624 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 61' ' ' LEU . 89.4 tt0 -54.41 -21.31 9.36 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.09 -3.36 58.77 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.476 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.37 32.9 64.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' GLU . 48.8 p-10 -91.97 -3.24 56.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.097 -1.237 . . . . 0.0 110.199 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.09 8.63 0.26 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -135.48 157.54 46.63 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.23 -1.159 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.13 157.24 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 121.87 0.843 . . . . 0.0 111.636 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.48 20.28 5.46 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 23.5 t80 62.31 -40.94 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 122.134 -0.354 . . . . 0.0 111.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.04 -29.91 67.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.462 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 33.8 mt-10 -68.54 -40.67 80.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.764 -1.21 . . . . 0.0 108.966 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -67.22 -43.6 81.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.839 -0.538 . . . . 0.0 112.233 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.564 HG11 HG21 ' B' ' 83' ' ' VAL . 4.0 p -59.92 -39.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.553 -1.342 . . . . 0.0 110.11 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.8 -39.99 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.734 -1.229 . . . . 0.0 110.787 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.66 HD21 HG13 ' A' ' 57' ' ' ILE . 13.1 tp -62.68 -57.46 10.94 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.086 -1.009 . . . . 0.0 112.256 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.765 HG21 ' CE1' ' A' ' 74' ' ' PHE . 2.6 m -74.31 -21.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.662 -0.649 . . . . 0.0 110.513 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.15 -53.08 22.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.826 -1.171 . . . . 0.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.81 -40.47 75.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.946 -1.096 . . . . 0.0 111.214 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.64 -46.95 87.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.842 -1.161 . . . . 0.0 109.986 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.3 m -62.11 -40.04 94.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.412 -0.805 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' ALA . 50.6 t -60.19 -40.29 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.453 -0.78 . . . . 0.0 109.453 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.82 87.1 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.617 -0.677 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.13 -42.09 94.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.247 -0.908 . . . . 0.0 110.9 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -61.56 -40.2 93.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 110.107 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.259 -0.901 . . . . 0.0 108.79 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.5 -40.23 90.63 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.498 1.943 0 O-C-N 120.938 -1.101 . . . . 0.0 110.579 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . 33.7 tt0 -59.9 -49.89 75.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 110.197 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.9 OUTLIER -72.22 -40.04 68.08 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.641 -1.287 . . . . 0.0 108.441 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.13 -40.03 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 10' ' ' THR . 20.1 m -60.79 -23.07 64.74 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.07 -35.23 76.29 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.742 -0.598 . . . . 0.0 110.916 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -73.48 -39.33 64.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.676 -1.265 . . . . 0.0 109.486 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 92.1 mt-10 -66.56 -39.57 88.57 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.626 0.727 . . . . 0.0 111.754 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.516 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.9 t -73.61 -51.02 18.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -175.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.516 ' N ' HG23 ' B' ' 10' ' ' THR . 2.5 pp -70.09 -25.55 63.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.179 -1.576 . . . . 0.0 108.699 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.84 -28.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.062 -1.024 . . . . 0.0 108.961 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.3 m-20 -73.39 -39.89 64.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.845 . . . . 0.0 109.586 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.404 HG13 HD22 ' B' ' 36' ' ' LEU . 1.2 t -70.6 -34.16 56.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.617 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.8 t80 -59.99 -42.29 93.89 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -85.65 -8.91 57.95 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.19 47.65 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.953 -1.092 . . . . 0.0 109.762 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -103.42 -37.96 7.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.299 -0.875 . . . . 0.0 110.85 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -56.33 -28.57 59.38 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.189 -0.944 . . . . 0.0 110.43 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 0.38 61.17 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -73.59 -31.13 63.41 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.547 -0.972 . . . . 0.0 109.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -95.27 -5.83 42.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 111.626 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 89.91 -11.83 69.36 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' B' ' 26' ' ' TYR . 98.5 m-20 -84.41 25.72 0.85 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' B' ' 23' ' ' GLY . 25.8 ttmt -43.1 -13.5 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.116 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.545 ' N ' ' O ' ' B' ' 24' ' ' ASP . 94.2 m-85 -89.87 -15.61 31.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.594 -1.316 . . . . 0.0 109.352 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -148.7 150.08 32.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.997 -1.064 . . . . 0.0 109.942 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.67 165.71 18.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.117 -0.989 . . . . 0.0 108.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -136.18 165.14 26.43 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.715 -1.241 . . . . 0.0 110.616 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -60.06 -40.13 88.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.459 -0.776 . . . . 0.0 111.38 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.457 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 11.1 tmtt? -77.45 -31.49 53.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.58 -1.325 . . . . 0.0 110.441 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.19 -50.0 73.56 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.616 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.28 -33.98 72.22 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.639 -0.663 . . . . 0.0 111.451 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.6 tttm -60.28 -37.23 79.82 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.824 -1.172 . . . . 0.0 109.202 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 39' ' ' THR . 70.1 m-20 -66.55 -40.07 88.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.133 -0.979 . . . . 0.0 110.13 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.404 HD22 HG13 ' B' ' 14' ' ' VAL . 64.3 mt -61.39 -40.22 93.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.193 -0.942 . . . . 0.0 110.573 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.7 mt -73.16 -40.31 64.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.911 -1.118 . . . . 0.0 110.331 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 28.1 mt-30 -70.29 -21.43 62.95 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.377 0.608 . . . . 0.0 109.621 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 35' ' ' ASP . 21.1 p -90.99 -52.84 4.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.284 -0.885 . . . . 0.0 112.7 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.7 mt-10 -109.98 -32.7 6.94 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.897 -1.127 . . . . 0.0 112.723 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 8' ' ' MET . 10.0 mp -111.35 26.48 10.63 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.982 -1.074 . . . . 0.0 109.907 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 37' ' ' LEU . 59.7 p -60.97 -39.92 91.39 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.131 -0.981 . . . . 0.0 111.22 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 95.2 p -67.16 -40.04 86.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.968 -1.082 . . . . 0.0 111.716 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.84 -69.02 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.625 -1.297 . . . . 0.0 109.907 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 47' ' ' VAL . 11.1 mp -80.7 98.59 7.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.403 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 82.1 m-20 -62.65 80.44 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.608 0.718 . . . . 0.0 110.144 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -93.39 -15.1 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.496 -0.753 . . . . 0.0 109.71 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -80.1 -69.15 0.61 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.715 -1.241 . . . . 0.0 112.369 -178.029 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.23 -50.7 70.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.109 -0.994 . . . . 0.0 110.468 -176.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -93.15 77.77 4.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.225 -1.547 . . . . 0.0 109.289 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.506 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.98 -20.84 26.07 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 64.4 t0 -70.07 -26.13 63.86 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.16 74.58 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -75.03 -30.42 23.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.885 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -70.7 -38.98 73.73 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.942 -1.099 . . . . 0.0 109.156 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' HZ2' ' B' ' 56' ' ' LYS . 9.9 mtmp? -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.068 0.937 . . . . 0.0 110.068 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.648 HG13 HD21 ' B' ' 77' ' ' LEU . 0.8 OUTLIER -64.88 -38.93 84.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.488 ' O ' ' N ' ' B' ' 62' ' ' ASP . 89.7 mmm -71.84 -30.02 65.02 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 109.726 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -55.77 -40.36 72.52 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.22 -34.7 78.69 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -81.65 -70.12 0.56 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.543 0.687 . . . . 0.0 110.705 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 58' ' ' MET . 91.7 m-20 -74.62 35.96 0.1 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.483 -0.76 . . . . 0.0 109.501 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 89.2 tt0 -55.09 -21.78 13.95 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.76 -4.46 59.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.414 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.51 63.04 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.8 p-10 -92.02 -3.58 55.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.172 -1.193 . . . . 0.0 109.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.65 9.57 0.29 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.7 mt-10 -135.44 157.12 47.68 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 121.317 -1.108 . . . . 0.0 108.181 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -125.92 157.46 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-O 121.936 0.874 . . . . 0.0 111.657 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.2 m-20 -91.71 20.0 5.93 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 22.8 t80 62.3 -40.88 0.16 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 122.233 -0.292 . . . . 0.0 111.255 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 0.0 OUTLIER -70.13 -29.96 67.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.376 -1.453 . . . . 0.0 109.299 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 32.5 mt-10 -68.32 -40.66 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.689 -1.257 . . . . 0.0 108.948 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.747 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.2 t80 -67.43 -43.25 81.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.779 -0.576 . . . . 0.0 112.542 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.506 HG11 HG21 ' A' ' 83' ' ' VAL . 4.0 p -60.07 -39.93 81.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 120.515 -1.366 . . . . 0.0 109.845 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t -69.67 -40.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.864 -1.147 . . . . 0.0 110.765 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.648 HD21 HG13 ' B' ' 57' ' ' ILE . 13.1 tp -62.46 -57.63 10.55 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.108 -0.995 . . . . 0.0 112.243 -177.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.747 HG21 ' CE2' ' B' ' 74' ' ' PHE . 3.1 m -74.78 -20.58 16.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.617 -0.677 . . . . 0.0 110.527 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.06 -53.04 22.51 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.07 76.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.053 -1.029 . . . . 0.0 111.218 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.65 -47.54 85.79 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.935 -1.103 . . . . 0.0 110.176 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.1 m -61.9 -40.1 94.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.399 -0.813 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 75' ' ' VAL . 46.7 t -60.17 -40.09 82.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.871 0.843 . . . . 0.0 109.622 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.67 87.06 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.411 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.36 -41.06 92.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.364 -0.835 . . . . 0.0 110.703 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.931 -1.106 . . . . 0.0 110.069 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.75 -40.07 91.1 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.58 -40.3 91.21 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.017 -1.052 . . . . 0.0 110.653 -178.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 53.4 mt-10 -60.01 -49.93 75.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 109.396 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.662 HD22 HD11 ' B' ' 41' ' ' LEU . 2.0 tt -71.94 -39.96 69.07 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.77 -39.96 95.8 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -62.54 -22.48 66.36 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.23 -37.19 80.56 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -80.97 -33.9 33.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.01 -1.056 . . . . 0.0 110.346 -179.24 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -71.13 -30.27 66.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 110.146 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.563 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 9.0 t -80.09 -51.69 8.71 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.12 -0.987 . . . . 0.0 111.499 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -62.82 -28.49 70.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.358 -1.464 . . . . 0.0 109.174 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.49 -34.43 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.543 -1.348 . . . . 0.0 110.206 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -70.45 -44.91 66.85 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.271 -0.893 . . . . 0.0 110.852 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 15' ' ' PHE . 29.5 m -69.41 -32.86 54.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 64.4 t80 -62.04 -39.87 93.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.757 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -88.91 -10.09 49.13 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.0 55.39 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -102.63 -27.89 12.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.513 -0.742 . . . . 0.0 111.246 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -60.82 -40.07 91.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.966 -1.084 . . . . 0.0 111.459 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.52 6.29 70.92 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.62 -29.79 63.78 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.224 -1.162 . . . . 0.0 108.461 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -92.79 -2.08 56.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.651 -0.656 . . . . 0.0 110.759 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.49 -7.55 78.59 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 27' ' ' LYS . 66.8 m-20 -91.02 38.28 0.95 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.397 -1.06 . . . . 0.0 108.533 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.62 -16.92 18.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.602 -0.686 . . . . 0.0 110.677 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -66.99 -19.48 65.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.618 -1.301 . . . . 0.0 109.206 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 19.5 pttm -163.19 169.82 18.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.218 -0.926 . . . . 0.0 109.733 177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 33' ' ' LEU . 48.5 tp -78.87 161.41 26.76 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 m -132.38 163.25 29.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.91 -1.119 . . . . 0.0 109.922 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 3.7 tmtt? -59.53 -40.5 87.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.543 -0.723 . . . . 0.0 110.789 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.65 -31.42 61.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.951 -1.093 . . . . 0.0 110.168 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.79 -44.95 79.94 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.492 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 pp -69.97 -30.02 67.28 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.025 -1.047 . . . . 0.0 109.627 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 48.3 tptt -59.79 -40.13 87.24 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.638 -0.664 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 39' ' ' THR . 94.2 m-20 -68.91 -40.05 79.32 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.733 -0.605 . . . . 0.0 111.669 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.8 -40.51 83.87 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.222 -0.924 . . . . 0.0 111.869 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.93 -43.29 55.02 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.604 -1.31 . . . . 0.0 110.746 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.475 HE21 ' C ' ' A' ' 34' ' ' LYS . 16.6 pt20 -68.95 -25.17 64.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.359 -0.838 . . . . 0.0 109.57 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.9 p -73.02 -55.92 5.84 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 121.021 -1.049 . . . . 0.0 111.348 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.3 mt-10 -113.55 -24.62 9.15 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.991 -1.068 . . . . 0.0 113.259 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.671 HD11 HD22 ' B' ' 4' ' ' LEU . 6.6 mp -110.88 21.62 16.27 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.688 -1.258 . . . . 0.0 111.329 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -59.25 -49.37 78.1 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.713 -1.242 . . . . 0.0 110.761 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -61.79 -40.23 94.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.147 -0.971 . . . . 0.0 111.661 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -79.86 -69.97 0.55 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.682 -1.261 . . . . 0.0 109.998 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 47' ' ' VAL . 9.8 mp -81.54 96.58 7.49 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.11 138.81 54.02 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 118.561 -1.256 . . . . 0.0 107.628 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -161.7 -52.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.026 -1.046 . . . . 0.0 110.441 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' H ' HG13 ' A' ' 47' ' ' VAL . 9.9 pt20 -60.04 -42.95 95.53 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.663 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -72.98 -39.44 66.11 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.899 -1.125 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -101.46 79.29 1.95 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.133 -0.979 . . . . 0.0 109.483 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -57.14 -22.2 38.25 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 108.467 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 18.5 p-10 -72.8 -25.68 61.24 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.51 78.6 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.901 -0.499 . . . . 0.0 109.749 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.8 p -76.72 -30.06 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.558 -1.257 . . . . 0.0 109.266 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -65.35 -40.15 93.27 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 109.176 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -70.08 -40.06 75.23 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.221 1.01 . . . . 0.0 110.64 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.93 84.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.636 -178.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.3 ptm -81.79 -26.98 33.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.16 -0.962 . . . . 0.0 110.442 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.17 -42.29 85.71 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.045 -1.034 . . . . 0.0 109.484 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.16 -39.93 91.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.3 mp -83.62 -69.63 0.62 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.428 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.3 m-20 -67.68 39.29 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.199 -0.938 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 61' ' ' LEU . 17.6 pt-20 -58.14 -8.58 1.12 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 62' ' ' ASP . 23.9 m120 -86.75 -3.08 59.01 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.26 0.552 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.39 28.63 73.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 68' ' ' GLU . 50.2 p-10 -88.8 -2.61 58.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.993 . . . . 0.0 109.791 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.43 6.3 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.2 mt-10 -131.98 125.75 32.31 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.184 -1.186 . . . . 0.0 108.766 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.94 142.93 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.855 . . . . 0.0 109.138 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 65.5 t0 -62.13 -48.22 81.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.789 -1.194 . . . . 0.0 110.879 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER 146.06 -60.81 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.27 -35.09 74.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -42.52 95.8 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 109.1 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -66.76 -49.47 65.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.38 -0.825 . . . . 0.0 113.118 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -60.22 -39.82 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.027 -1.045 . . . . 0.0 112.039 -176.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.65 -40.71 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.485 -1.384 . . . . 0.0 110.982 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.15 -52.94 62.74 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.085 -1.009 . . . . 0.0 111.942 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.98 -20.36 14.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.434 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -69.56 -55.46 10.08 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.147 -0.971 . . . . 0.0 110.78 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.01 82.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.056 -1.028 . . . . 0.0 111.207 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.19 -41.23 99.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.14 -40.49 94.05 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.246 -0.909 . . . . 0.0 109.121 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.84 -40.48 82.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.616 0.722 . . . . 0.0 109.759 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.04 86.54 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.566 -0.709 . . . . 0.0 110.255 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.7 -39.48 84.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.047 . . . . 0.0 109.152 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.86 -39.62 85.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.774 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.65 -36.49 83.01 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.213 -0.929 . . . . 0.0 109.435 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.91 -40.61 89.4 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 0.0 110.301 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 120.888 -1.133 . . . . 0.0 108.886 179.093 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.4 ' O ' ' N ' ' B' ' 6' ' ' THR . 50.7 m . . . . . 0 N--CA 1.501 2.083 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 45.8 mt-10 -60.16 -49.71 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.788 . . . . 0.0 109.301 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 41' ' ' LEU . 2.0 tt -71.86 -39.99 69.29 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.65 -40.19 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 2' ' ' SER . 22.0 m -62.45 -22.65 66.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.17 -37.06 80.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -81.13 -33.21 33.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.881 -1.137 . . . . 0.0 110.437 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' B' ' 9' ' ' GLU . 0.2 OUTLIER -71.77 -30.68 65.82 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.081 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' B' ' 11' ' ' LEU . 8.9 t -80.0 -51.91 8.47 Favored 'General case' 0 C--O 1.202 -1.411 0 O-C-N 121.17 -0.956 . . . . 0.0 111.568 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' B' ' 10' ' ' THR . 2.1 pp -62.43 -28.26 69.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.274 -1.517 . . . . 0.0 109.118 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.97 -33.56 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.584 -1.323 . . . . 0.0 110.238 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -71.26 -44.47 65.2 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.095 -1.003 . . . . 0.0 110.796 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 29.7 m -69.5 -32.44 52.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CZ ' ' CD1' ' B' ' 71' ' ' PHE . 65.8 t80 -62.1 -40.05 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.895 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -89.4 -9.21 51.14 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.49 -39.95 51.67 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.443 -0.786 . . . . 0.0 109.183 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -102.82 -27.78 12.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.431 -0.793 . . . . 0.0 111.372 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -60.21 -40.17 89.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.134 -0.979 . . . . 0.0 111.366 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.78 6.22 69.95 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -72.63 -29.72 63.71 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.434 -1.039 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.87 -2.09 56.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.696 -0.627 . . . . 0.0 110.723 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.34 -7.72 77.46 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' B' ' 27' ' ' LYS . 67.1 m-20 -90.72 38.34 0.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.413 -1.051 . . . . 0.0 108.407 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.08 -16.22 18.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.566 -0.709 . . . . 0.0 110.591 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.53 -19.34 65.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.73 -1.231 . . . . 0.0 109.031 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 24' ' ' ASP . 19.3 pttm -163.45 169.78 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.204 -0.935 . . . . 0.0 109.761 177.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 33' ' ' LEU . 47.9 tp -78.92 161.41 26.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.9 m -131.74 164.11 26.71 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.105 -0.997 . . . . 0.0 109.965 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' B' ' 30' ' ' LYS . 3.5 tmtt? -59.92 -40.79 90.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.606 -0.684 . . . . 0.0 110.576 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -74.8 -31.78 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.888 -1.133 . . . . 0.0 110.349 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.54 -45.13 80.45 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.514 -0.741 . . . . 0.0 111.41 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.82 -30.01 67.42 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.91 -1.119 . . . . 0.0 109.713 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 50.4 tptt -59.95 -39.74 86.63 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.584 ' O ' HG23 ' B' ' 39' ' ' THR . 94.3 m-20 -69.21 -39.68 78.44 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.737 -0.602 . . . . 0.0 111.841 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.25 -40.01 82.1 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.264 -0.898 . . . . 0.0 111.883 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -75.52 -43.31 49.61 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.688 -1.257 . . . . 0.0 110.628 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.488 HE21 ' C ' ' B' ' 34' ' ' LYS . 17.0 pt20 -68.77 -25.01 64.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.311 -0.868 . . . . 0.0 109.542 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -72.96 -56.52 5.04 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.377 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.2 mt-10 -113.04 -24.86 9.24 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.016 -1.053 . . . . 0.0 113.316 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 4' ' ' LEU . 6.6 mp -110.68 22.3 15.56 Favored 'General case' 0 N--CA 1.516 2.835 0 O-C-N 120.567 -1.333 . . . . 0.0 111.167 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.3 p -59.94 -49.34 78.07 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.682 -1.261 . . . . 0.0 110.777 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -61.47 -40.13 93.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.014 -1.053 . . . . 0.0 111.663 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.02 -69.9 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 109.931 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.4 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.0 mp -81.85 96.8 7.74 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.33 138.74 54.5 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 118.551 -1.26 . . . . 0.0 107.722 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.549 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.6 p -161.5 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.012 -1.055 . . . . 0.0 110.403 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.549 ' H ' HG13 ' B' ' 47' ' ' VAL . 10.0 pt20 -60.25 -42.85 96.2 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.683 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -73.23 -39.09 65.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.913 -1.117 . . . . 0.0 109.605 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -101.91 79.76 1.94 Allowed 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.16 0.981 . . . . 0.0 109.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -57.57 -22.74 46.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 18.5 p-10 -72.01 -26.01 62.05 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.08 83.02 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.5 p -75.59 -30.18 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.166 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.21 -40.0 93.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.839 -1.163 . . . . 0.0 109.288 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.7 -39.83 73.22 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.164 0.983 . . . . 0.0 110.385 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -40.0 84.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.42 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.559 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.3 ptm -81.76 -27.19 33.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.81 -42.92 85.25 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.966 -1.084 . . . . 0.0 109.561 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.1 mp -84.0 -69.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.521 -0.737 . . . . 0.0 109.44 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -67.85 39.38 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.134 -0.979 . . . . 0.0 109.408 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.6 pt-20 -57.99 -8.83 1.12 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 62' ' ' ASP . 23.2 m120 -86.45 -3.12 58.95 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.866 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.94 27.5 73.42 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.7 p-10 -88.24 -3.01 58.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.512 -0.993 . . . . 0.0 109.961 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.49 6.39 0.18 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 66' ' ' ASP . 93.0 mt-10 -131.61 125.42 32.18 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.249 -1.147 . . . . 0.0 108.74 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.2 t -93.9 142.71 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.427 -0.796 . . . . 0.0 109.036 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 65.5 t0 -61.96 -48.27 81.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.801 -1.187 . . . . 0.0 110.926 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' CZ ' ' B' ' 15' ' ' PHE . 0.9 OUTLIER 146.01 -61.08 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.86 -35.16 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -60.19 -42.67 95.55 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.2 -179.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.48 -49.9 65.08 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.0 p -60.19 -40.13 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.08 -1.013 . . . . 0.0 111.806 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -41.62 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.837 -1.165 . . . . 0.0 110.875 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.21 -52.42 64.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.172 -0.955 . . . . 0.0 112.191 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.32 -20.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.443 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -69.68 -55.39 10.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 110.766 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.96 81.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.959 -1.088 . . . . 0.0 111.275 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.58 -42.0 99.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.901 -1.124 . . . . 0.0 109.132 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -61.16 -40.17 92.86 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.351 -0.843 . . . . 0.0 109.22 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.9 t -60.16 -40.12 82.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.95 86.18 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.62 -0.675 . . . . 0.0 110.496 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.83 -39.9 86.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.981 -1.075 . . . . 0.0 109.083 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.64 -39.71 85.26 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.24 -36.99 83.7 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.0 109.497 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -59.8 -40.04 87.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.162 -0.962 . . . . 0.0 110.435 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.489 1.479 0 O-C-N 120.8 -1.187 . . . . 0.0 108.654 179.046 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.0 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.748 0.785 . . . . 0.0 108.954 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.17 -48.46 81.64 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' B' ' 41' ' ' LEU . 51.2 tp -69.91 -40.0 75.83 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.94 -39.72 87.36 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 2' ' ' SER . 16.8 m -63.75 -22.22 66.8 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.42 -38.64 81.41 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 110.186 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -81.03 -30.83 34.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.017 -1.052 . . . . 0.0 110.413 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.82 -30.39 62.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.287 -0.883 . . . . 0.0 110.212 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.7 t -79.47 -50.81 10.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.391 -0.818 . . . . 0.0 111.61 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -60.35 -30.67 69.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.366 -1.459 . . . . 0.0 110.552 -178.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -73.4 -27.88 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 119.914 -1.742 . . . . 0.0 110.336 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.69 -46.52 30.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.335 -0.853 . . . . 0.0 110.575 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -66.13 -32.92 60.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.0 t80 -60.05 -43.94 95.04 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.036 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -87.56 -4.19 58.97 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.8 -40.01 25.72 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.302 -0.874 . . . . 0.0 109.416 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -104.12 -23.35 13.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.676 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 66.3 m -68.19 -26.09 65.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.605 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 2.71 59.63 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -71.05 -34.11 70.92 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -94.19 -5.7 46.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.556 -0.715 . . . . 0.0 110.814 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.01 75.24 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -87.56 42.83 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -1.124 . . . . 0.0 108.269 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -61.17 -7.85 3.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.882 -0.511 . . . . 0.0 111.341 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -85.04 -13.02 51.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.637 -1.29 . . . . 0.0 109.424 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -160.09 160.33 32.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.329 -0.857 . . . . 0.0 109.088 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -84.59 164.84 18.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.001 -1.062 . . . . 0.0 108.419 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -135.17 168.56 18.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.861 -1.15 . . . . 0.0 109.82 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.68 -41.58 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.259 -0.901 . . . . 0.0 112.233 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.0 -31.62 44.85 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.576 -1.328 . . . . 0.0 110.777 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 95.9 mt-10 -61.14 -45.91 92.72 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.378 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -69.95 -31.51 69.28 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.198 -0.939 . . . . 0.0 110.762 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -61.35 -40.06 92.87 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.047 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 39' ' ' THR . 2.9 p30 -66.55 -39.7 88.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.882 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 88.8 mt -60.61 -41.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.353 -0.842 . . . . 0.0 111.679 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.36 -42.62 35.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.67 -1.269 . . . . 0.0 111.538 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' A' ' 42' ' ' SER . 13.5 pt20 -72.1 -22.06 61.4 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.836 0.827 . . . . 0.0 109.206 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -70.08 -57.31 5.12 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 120.911 -1.118 . . . . 0.0 109.685 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 41' ' ' LEU . 15.2 mm-40 -113.05 -20.24 11.58 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.073 -1.017 . . . . 0.0 113.171 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 ' HG ' ' B' ' 4' ' ' LEU . 6.5 mp -111.3 28.7 8.48 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 120.481 -1.387 . . . . 0.0 111.399 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 53.5 m -60.02 -40.94 91.03 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.856 -1.153 . . . . 0.0 111.425 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -70.87 -41.29 71.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.872 -1.143 . . . . 0.0 112.131 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -80.0 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.755 -1.216 . . . . 0.0 110.529 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 47' ' ' VAL . 10.9 mp -83.43 94.38 7.98 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.1 129.3 40.65 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.234 -1.386 . . . . 0.0 107.964 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -144.08 -76.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.469 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.699 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.2 pt20 -43.27 -35.84 1.6 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.709 -0.62 . . . . 0.0 110.474 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -73.13 -44.62 59.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.617 -1.302 . . . . 0.0 108.387 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 1.6 p30 -104.36 88.3 2.94 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.024 0.916 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.35 -19.24 54.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.92 -22.43 45.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.732 -1.23 . . . . 0.0 108.365 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.61 80.13 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.6 p -70.53 -30.77 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.467 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.62 -40.09 92.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.084 -1.01 . . . . 0.0 108.795 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.51 -39.97 77.25 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-N 115.069 -0.968 . . . . 0.0 113.393 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -76.42 -29.29 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttp -74.46 -31.63 62.3 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -49.98 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.25 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.74 -39.19 93.34 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.902 0.858 . . . . 0.0 108.713 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 74' ' ' PHE . 4.1 mp -68.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.671 0.748 . . . . 0.0 109.451 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' HG22 ' A' ' 69' ' ' VAL . 97.3 m-20 -83.4 42.78 0.84 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -49.32 -19.45 0.5 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 62' ' ' ASP . 65.1 t30 -78.63 -9.15 59.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.722 -0.611 . . . . 0.0 109.942 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.4 32.74 71.97 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 68' ' ' GLU . 51.3 p-10 -90.02 -0.09 57.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.189 -1.183 . . . . 0.0 110.586 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.96 4.42 1.0 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 66' ' ' ASP . 60.5 mm-40 -129.43 146.8 51.23 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 ' OD1' ' A' ' 62' ' ' ASP . 40.5 t -119.02 138.98 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 CA-C-O 121.45 0.643 . . . . 0.0 110.353 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 72' ' ' GLN . 9.3 t70 -78.24 14.98 1.03 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 68.4 t80 62.42 -39.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.989 -0.444 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.6 mt-30 -66.38 -39.94 89.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 108.105 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -60.65 -39.96 90.26 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.206 1.003 . . . . 0.0 108.619 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' A' ' 78' ' ' VAL . 84.1 t80 -60.08 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.331 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 54.1 t -60.01 -39.72 81.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 111.178 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.95 -42.89 98.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 O-C-N 119.874 -1.766 . . . . 0.0 111.736 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.68 -58.31 3.36 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.829 -1.169 . . . . 0.0 112.575 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.1 m -72.24 -28.09 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.608 -1.307 . . . . 0.0 112.782 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -71.78 -48.25 47.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.54 -1.35 . . . . 0.0 109.416 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.61 90.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.941 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -48.44 81.69 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.112 -0.993 . . . . 0.0 110.473 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.991 -1.068 . . . . 0.0 110.31 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.0 -43.79 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.399 -0.813 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.44 82.67 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.06 -39.91 87.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.99 -1.069 . . . . 0.0 109.76 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 110.191 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.11 -36.76 82.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.009 -1.057 . . . . 0.0 109.704 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 110.409 -179.397 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.9 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.759 0.79 . . . . 0.0 109.064 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.09 -48.86 79.96 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 51.6 tp -69.64 -40.0 76.78 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.95 -39.54 87.29 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 10' ' ' THR . 17.5 m -63.84 -22.39 66.89 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.09 -38.91 82.87 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.653 0.739 . . . . 0.0 110.233 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -81.09 -30.65 34.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.021 -1.049 . . . . 0.0 110.475 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.01 -30.46 62.47 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 110.195 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.0 t -79.24 -51.26 9.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.381 -0.824 . . . . 0.0 111.691 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.567 ' N ' HG23 ' B' ' 10' ' ' THR . 0.7 OUTLIER -60.26 -30.39 69.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.373 -1.454 . . . . 0.0 110.604 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 pt -73.7 -27.49 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 119.9 -1.75 . . . . 0.0 110.447 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -76.37 -46.03 29.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.092 -1.005 . . . . 0.0 110.586 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.2 m -65.97 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 7.9 t80 -60.11 -44.03 95.17 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.927 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -87.77 -3.28 58.96 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.03 -39.42 23.54 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.332 -0.855 . . . . 0.0 109.431 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -104.32 -23.46 13.21 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.395 -0.815 . . . . 0.0 110.557 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -68.22 -26.2 65.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.544 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.1 2.75 59.85 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -71.08 -34.15 70.89 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.612 -0.934 . . . . 0.0 108.52 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -94.15 -5.78 46.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.617 -0.677 . . . . 0.0 110.774 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.03 75.27 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.42 42.83 1.06 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.374 -1.074 . . . . 0.0 108.263 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -61.06 -8.25 3.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.297 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -84.66 -13.39 51.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.672 -1.268 . . . . 0.0 109.475 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' B' ' 68' ' ' GLU . 11.9 ttpp -160.11 159.99 32.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.93 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.0 tp -84.24 164.88 18.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.064 -1.023 . . . . 0.0 108.587 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -134.38 169.3 17.44 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.917 -1.115 . . . . 0.0 110.037 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -60.03 -41.91 93.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 112.132 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.18 -31.62 43.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.686 -1.259 . . . . 0.0 110.755 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 95.6 mt-10 -61.41 -45.56 93.82 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.367 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.568 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.98 -31.65 69.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.294 -0.879 . . . . 0.0 110.787 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -61.33 -40.0 92.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.998 -1.064 . . . . 0.0 110.072 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 2.9 p30 -67.3 -37.85 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.0 110.08 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 90.3 mt -62.28 -40.6 96.79 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 111.531 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.23 -43.32 33.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.749 -1.219 . . . . 0.0 111.446 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' B' ' 42' ' ' SER . 13.5 pt20 -71.65 -22.28 61.7 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.817 0.818 . . . . 0.0 109.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.3 p -69.7 -57.51 5.05 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 120.768 -1.208 . . . . 0.0 109.72 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' B' ' 41' ' ' LEU . 16.0 mm-40 -112.96 -20.44 11.55 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.047 -1.033 . . . . 0.0 113.176 -178.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.5 mp -111.22 28.65 8.52 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 120.498 -1.376 . . . . 0.0 111.399 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 53.7 m -59.98 -41.06 91.18 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.845 -1.16 . . . . 0.0 111.293 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.5 m -70.42 -41.54 72.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.883 -1.136 . . . . 0.0 112.186 -177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -80.02 -69.93 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.727 -1.233 . . . . 0.0 110.544 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.8 mp -83.59 94.85 8.17 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.27 129.37 40.95 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 118.206 -1.398 . . . . 0.0 107.901 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.684 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -144.18 -76.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.174 -0.954 . . . . 0.0 109.54 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.684 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.7 pt20 -43.56 -35.79 1.84 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.494 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -72.96 -44.62 60.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.737 -1.227 . . . . 0.0 108.509 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 1.5 p30 -104.24 87.86 2.85 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.011 0.91 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.451 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.97 -20.09 55.68 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.258 -0.901 . . . . 0.0 109.154 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -77.96 -23.27 48.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.784 -1.198 . . . . 0.0 108.479 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.01 84.09 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.451 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.9 p -70.44 -30.41 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.158 -0.964 . . . . 0.0 109.569 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.01 -39.9 90.64 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.035 -1.041 . . . . 0.0 108.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.67 -40.09 76.62 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.225 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.414 ' O ' HD13 ' B' ' 61' ' ' LEU . 2.7 pt -76.59 -28.8 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.588 -1.32 . . . . 0.0 109.063 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttp -74.45 -31.69 62.34 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.51 -39.38 93.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 57' ' ' ILE . 3.7 mp -68.92 -60.0 2.67 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.709 0.766 . . . . 0.0 109.4 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.485 ' OD1' HG22 ' B' ' 69' ' ' VAL . 97.4 m-20 -83.71 43.0 0.88 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -49.54 -19.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.475 ' N ' ' C ' ' B' ' 62' ' ' ASP . 65.1 t30 -79.27 -8.88 59.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.715 -0.615 . . . . 0.0 109.747 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.03 33.0 73.55 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.9 p-10 -90.0 0.0 57.34 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.143 -1.21 . . . . 0.0 110.627 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 4.91 0.99 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 66' ' ' ASP . 60.1 mm-40 -129.49 147.01 51.26 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.517 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.2 t -119.09 139.16 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-O 121.508 0.671 . . . . 0.0 110.337 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' B' ' 72' ' ' GLN . 9.3 t70 -78.42 15.04 1.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.363 -0.835 . . . . 0.0 110.111 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 68.1 t80 62.45 -39.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 122.015 -0.428 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.6 mt-30 -65.93 -39.91 90.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.493 -1.38 . . . . 0.0 108.186 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.74 -39.98 90.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.166 0.984 . . . . 0.0 108.591 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.717 ' O ' HG22 ' B' ' 78' ' ' VAL . 84.6 t80 -60.13 -48.66 80.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.315 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 54.4 t -60.01 -40.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 O-C-N 121.006 -1.059 . . . . 0.0 111.035 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.51 -43.07 98.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 O-C-N 120.198 -1.564 . . . . 0.0 111.683 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.9 -58.41 3.3 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.827 -1.17 . . . . 0.0 112.675 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.717 HG22 ' O ' ' B' ' 74' ' ' PHE . 8.4 m -72.19 -27.87 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.637 -1.289 . . . . 0.0 112.818 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -71.92 -48.19 47.16 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.575 -1.328 . . . . 0.0 109.385 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.294 -0.879 . . . . 0.0 109.975 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -48.51 81.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.153 -0.967 . . . . 0.0 110.328 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -39.98 87.71 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.423 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -43.89 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 110.211 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.4 82.76 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.517 -0.74 . . . . 0.0 110.339 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.119 -0.988 . . . . 0.0 109.795 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -40.09 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.171 -0.955 . . . . 0.0 110.243 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -67.13 -36.59 82.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.98 -1.075 . . . . 0.0 109.712 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.496 -0.752 . . . . 0.0 110.074 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 120.881 -1.137 . . . . 0.0 110.411 -179.346 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 6' ' ' THR . 69.1 p . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 121.1 0.476 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 2.7 mm-40 -59.95 -47.55 85.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.164 -0.96 . . . . 0.0 108.689 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.59 -42.79 61.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.04 -40.08 94.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' SER . 17.7 m -67.27 -21.92 65.69 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.643 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.15 -40.08 78.43 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.315 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.4 mmm -80.57 -32.92 36.46 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 110.482 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -71.17 -33.92 70.45 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.691 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 6.1 t -77.58 -45.75 24.3 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 112.415 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 10' ' ' THR . 1.7 pp -66.13 -25.65 67.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.089 -1.632 . . . . 0.0 110.344 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 pt -78.53 -31.23 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.292 -1.505 . . . . 0.0 110.206 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.24 -41.25 67.04 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.34 -35.35 57.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' A' ' 19' ' ' SER . 42.7 t80 -59.98 -40.08 87.9 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.97 -10.87 52.17 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -39.98 63.19 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.432 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -101.84 -34.76 9.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.512 -0.743 . . . . 0.0 111.149 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 56.8 m -59.97 -39.47 85.76 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.161 -0.962 . . . . 0.0 110.741 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.9 9.45 75.4 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.11 -29.08 25.13 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.527 -0.984 . . . . 0.0 109.944 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.62 -6.95 35.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.932 . . . . 0.0 111.301 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.41 52.96 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 106.889 -2.484 . . . . 0.0 106.889 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.8 t0 49.67 43.25 24.29 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.843 -1.387 . . . . 0.0 108.236 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -80.61 11.42 3.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.762 -0.586 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -56.8 -16.88 7.4 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -166.98 172.45 10.19 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 33' ' ' LEU . 32.7 tp -77.64 167.36 21.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.925 . . . . 0.0 108.614 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.545 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 5.2 p -134.33 165.01 26.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.974 -1.079 . . . . 0.0 110.021 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.94 -39.94 83.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.769 -0.582 . . . . 0.0 111.89 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -28.51 45.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.497 -1.377 . . . . 0.0 110.413 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 29' ' ' SER . 60.1 mt-10 -64.45 -50.09 68.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 110.534 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -67.54 -35.45 79.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.835 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 60.3 tttm -60.42 -39.97 89.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.157 -0.964 . . . . 0.0 109.837 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' THR . 85.2 m-20 -64.97 -40.03 94.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.571 -0.706 . . . . 0.0 110.792 -179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.86 -39.98 94.41 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.247 -0.908 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.92 -44.16 56.03 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.827 -1.171 . . . . 0.0 111.423 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.458 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 3.3 pt20 -70.05 -21.75 63.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.329 -0.857 . . . . 0.0 109.601 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.1 p -77.75 -55.48 5.3 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 121.043 -1.035 . . . . 0.0 110.893 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.6 mt-10 -111.74 -28.0 8.28 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.193 -0.942 . . . . 0.0 112.775 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.5 mp -109.59 26.61 10.44 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 120.739 -1.225 . . . . 0.0 110.772 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 p -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.785 -1.197 . . . . 0.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 t -68.38 -40.01 81.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.102 -0.999 . . . . 0.0 111.164 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.52 -70.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.874 -1.141 . . . . 0.0 110.942 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -85.0 96.53 9.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 34.4 p-10 -59.81 94.52 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.229 -0.919 . . . . 0.0 109.634 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.38 -24.96 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.473 -0.767 . . . . 0.0 109.924 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -78.52 -62.41 1.7 Allowed 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.059 -1.025 . . . . 0.0 111.718 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -59.92 -42.54 94.17 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.207 -0.933 . . . . 0.0 110.682 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 81.8 m-20 -100.61 74.13 1.66 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.476 -1.39 . . . . 0.0 109.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -54.05 -18.67 3.84 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.922 -1.111 . . . . 0.0 108.171 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 17.2 p-10 -76.57 -21.46 55.62 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -66.19 -35.38 80.29 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -77.97 -26.18 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.785 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -69.9 -40.0 75.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.806 -1.183 . . . . 0.0 108.515 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -69.9 -39.94 75.92 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.104 0.954 . . . . 0.0 110.092 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.35 -40.07 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.561 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.0 ptm -77.2 -27.03 53.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.836 -1.165 . . . . 0.0 109.679 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.14 -44.96 92.08 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.653 -0.655 . . . . 0.0 109.59 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.32 -39.9 94.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 108.279 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.5 mp -71.34 -61.14 1.88 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.798 0.808 . . . . 0.0 109.341 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' A' ' 64' ' ' ASN . 86.5 m-20 -82.79 40.97 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.4 -16.44 0.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 57.3 t30 -85.89 -6.71 59.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.773 -0.58 . . . . 0.0 110.015 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.04 31.72 69.51 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 56.9 p30 -89.09 -2.08 58.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -1.219 . . . . 0.0 110.138 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.26 4.73 1.97 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.1 mt-10 -133.04 132.96 42.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -100.77 146.84 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 121.837 0.827 . . . . 0.0 111.409 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.9 t0 -86.6 26.14 1.14 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 26.1 p90 53.36 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -60.06 -39.53 86.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 119.995 -1.691 . . . . 0.0 108.594 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.98 -40.03 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.057 -1.027 . . . . 0.0 108.844 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 78' ' ' VAL . 65.3 t80 -61.57 -47.4 85.67 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -40.02 81.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.931 -1.106 . . . . 0.0 111.565 -176.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.16 -40.03 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.391 -1.443 . . . . 0.0 111.771 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.45 -57.26 6.11 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.69 -1.257 . . . . 0.0 111.589 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.4 m -70.97 -23.58 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.679 -1.263 . . . . 0.0 111.758 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.17 -45.75 66.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 109.585 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.94 86.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.4 -47.81 66.32 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.714 -1.242 . . . . 0.0 110.834 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.3 m -63.01 -40.53 98.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.917 -1.114 . . . . 0.0 110.755 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.0 t -61.6 -44.54 98.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.445 -0.784 . . . . 0.0 109.514 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.93 87.68 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.678 -0.639 . . . . 0.0 110.973 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.5 m -59.91 -39.95 87.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.117 -0.989 . . . . 0.0 109.738 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 110.447 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -66.18 -40.06 90.17 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.915 -1.116 . . . . 0.0 109.722 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -60.02 -39.99 87.72 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.614 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.076 -1.015 . . . . 0.0 109.444 -179.444 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' THR . 67.9 p . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.126 0.489 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 2.8 mm-40 -59.98 -47.38 86.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 108.526 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.47 -42.95 61.27 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.2 m -67.1 -21.8 65.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.691 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.1 -40.08 78.6 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.234 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -80.59 -32.96 36.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.032 -1.042 . . . . 0.0 110.457 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.23 -34.13 70.49 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.452 -0.78 . . . . 0.0 110.308 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.643 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 6.0 t -77.35 -46.18 23.69 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 112.38 -177.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' HG23 ' B' ' 10' ' ' THR . 1.8 pp -65.78 -25.45 67.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.044 -1.66 . . . . 0.0 110.349 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 pt -79.06 -30.52 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.264 -1.522 . . . . 0.0 110.311 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -73.14 -40.75 64.64 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.157 -0.965 . . . . 0.0 109.597 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.36 -35.37 57.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -86.97 -10.77 52.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.0 -40.0 63.24 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -102.0 -34.49 9.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.527 -0.733 . . . . 0.0 111.165 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.1 m -60.05 -39.81 87.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 0.0 110.632 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.77 9.69 75.17 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -85.48 -28.59 24.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.952 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.85 -6.67 35.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.192 -0.943 . . . . 0.0 111.291 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.04 -173.62 53.45 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 106.938 -2.465 . . . . 0.0 106.938 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.89 43.2 25.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.843 -1.387 . . . . 0.0 108.161 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 11.43 3.71 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.822 -0.549 . . . . 0.0 110.893 -178.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -56.57 -17.67 9.27 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -166.67 171.88 11.15 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' B' ' 33' ' ' LEU . 31.8 tp -77.02 166.93 22.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.215 -0.928 . . . . 0.0 108.689 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.544 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 4.9 p -132.85 166.22 22.79 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.094 -1.004 . . . . 0.0 109.869 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -60.0 -39.95 87.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 111.809 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -28.48 44.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.532 -1.355 . . . . 0.0 110.482 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 29' ' ' SER . 59.9 mt-10 -64.46 -50.22 68.37 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.53 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -67.46 -35.59 79.48 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.746 . . . . 0.0 110.772 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.433 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 59.6 tttm -60.14 -40.02 88.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.096 -1.003 . . . . 0.0 109.945 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.546 ' O ' HG23 ' B' ' 39' ' ' THR . 86.3 m-20 -64.76 -40.02 94.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.561 -0.712 . . . . 0.0 111.109 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.21 -40.01 93.56 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.268 -0.895 . . . . 0.0 110.879 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 mt -73.73 -44.16 57.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.745 -1.222 . . . . 0.0 111.499 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.433 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 3.3 pt20 -70.06 -21.7 63.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.267 -0.895 . . . . 0.0 109.608 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.546 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.2 p -77.77 -55.37 5.39 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 120.993 -1.067 . . . . 0.0 110.964 -178.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.9 mt-10 -111.75 -28.16 8.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.142 -0.973 . . . . 0.0 112.717 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.453 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.7 mp -109.54 26.37 10.72 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 120.699 -1.251 . . . . 0.0 110.744 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 p -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.86 -1.15 . . . . 0.0 110.678 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -68.2 -40.02 82.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.053 -1.029 . . . . 0.0 111.164 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.65 -70.25 0.52 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.917 -1.114 . . . . 0.0 110.899 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.9 96.49 9.36 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 34.3 p-10 -59.89 94.18 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.307 -0.871 . . . . 0.0 109.689 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.09 -25.0 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.425 -0.797 . . . . 0.0 109.953 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.43 -62.31 1.73 Allowed 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 111.671 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.11 -42.21 94.22 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 110.735 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.2 m-20 -100.76 73.74 1.61 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.593 -1.317 . . . . 0.0 109.611 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.549 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -53.73 -18.81 3.43 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.842 -1.161 . . . . 0.0 108.133 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 17.1 p-10 -76.42 -21.77 55.53 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.54 -36.35 83.55 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.549 HG12 ' O ' ' B' ' 51' ' ' ALA . 4.7 p -77.51 -26.11 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -69.86 -40.02 76.0 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.849 -1.157 . . . . 0.0 108.495 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -69.78 -40.12 76.23 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.033 0.92 . . . . 0.0 110.095 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.407 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.11 -40.01 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 26.5 ptm -77.21 -27.09 53.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.812 -1.18 . . . . 0.0 109.695 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -58.77 -45.28 90.16 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.657 -0.652 . . . . 0.0 109.453 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.13 -39.97 95.17 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.041 -1.037 . . . . 0.0 108.322 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.2 mp -71.49 -61.04 1.92 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.758 0.79 . . . . 0.0 109.346 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.46 ' C ' ' N ' ' B' ' 64' ' ' ASN . 87.5 m-20 -82.79 40.9 0.7 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.55 -16.13 0.2 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.46 ' N ' ' C ' ' B' ' 62' ' ' ASP . 57.0 t30 -86.09 -6.96 58.92 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.658 -0.651 . . . . 0.0 109.926 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.24 32.02 68.85 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' B' ' 68' ' ' GLU . 57.4 p-10 -89.33 -1.96 58.26 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.192 -1.181 . . . . 0.0 110.186 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.13 4.76 1.89 Allowed Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' B' ' 66' ' ' ASP . 97.1 mt-10 -132.95 132.99 42.62 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.405 -1.056 . . . . 0.0 108.155 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.02 146.41 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.88 0.847 . . . . 0.0 111.482 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 72' ' ' GLN . 22.3 t0 -86.19 25.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.679 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 23.2 p90 53.68 -47.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.6 tt0 -59.96 -39.55 86.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.041 -1.662 . . . . 0.0 108.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.9 -40.12 87.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.99 -1.069 . . . . 0.0 108.858 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 78' ' ' VAL . 65.1 t80 -61.58 -47.62 84.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -40.07 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.802 -1.186 . . . . 0.0 111.54 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.65 -40.03 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.715 -1.24 . . . . 0.0 111.724 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.9 -57.61 5.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.737 -1.227 . . . . 0.0 111.528 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.669 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.2 m -70.7 -23.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.727 -1.233 . . . . 0.0 111.755 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.46 -45.61 65.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.68 -1.262 . . . . 0.0 109.545 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.97 86.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.502 -0.749 . . . . 0.0 111.782 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.28 -48.0 66.17 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.757 -1.214 . . . . 0.0 110.792 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -62.84 -40.95 99.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.884 -1.135 . . . . 0.0 110.684 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.1 t -61.25 -44.64 98.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.545 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.694 -0.629 . . . . 0.0 111.026 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.84 -39.97 86.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.04 -1.037 . . . . 0.0 109.858 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.93 -40.01 87.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.333 -0.855 . . . . 0.0 110.407 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -66.15 -40.0 90.24 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.994 -1.066 . . . . 0.0 109.698 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.1 -39.92 87.87 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.138 -0.976 . . . . 0.0 110.722 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.956 -1.09 . . . . 0.0 109.435 -179.633 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.692 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -60.0 -49.87 75.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 110.558 -179.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 62.3 tp -67.52 -47.85 68.76 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.42 -39.94 89.21 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.129 -0.982 . . . . 0.0 108.723 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m -62.56 -22.08 66.06 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.1 -35.66 76.71 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.166 -0.959 . . . . 0.0 110.173 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -38.07 48.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.993 -1.067 . . . . 0.0 109.975 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -69.78 -25.66 63.9 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.428 1.109 . . . . 0.0 109.168 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -72.79 -58.42 3.35 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.382 -177.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.66 -24.82 63.67 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.52 -31.55 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.532 -1.355 . . . . 0.0 110.147 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -72.51 -43.73 63.19 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.475 -0.766 . . . . 0.0 110.716 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 m -74.13 -31.56 29.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 122.37 1.081 . . . . 0.0 108.591 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.89 -39.96 95.39 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.708 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -88.41 -11.4 46.19 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.62 63.88 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.255 -0.903 . . . . 0.0 108.953 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.436 ' ND1' HD21 ' A' ' 36' ' ' LEU . 77.8 m80 -98.03 -35.1 10.55 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.535 -0.728 . . . . 0.0 111.037 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -59.93 -39.34 85.17 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.336 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.01 1.76 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.22 -68.76 0.66 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.406 -1.056 . . . . 0.0 108.515 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -124.56 -8.88 7.41 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.264 -0.574 . . . . 0.0 112.406 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.68 -174.49 43.2 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' O ' ' O ' ' A' ' 27' ' ' LYS . 91.5 m-20 50.01 37.61 14.52 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -15.92 59.45 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.404 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 39.9 t80 -90.3 -8.49 50.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.837 -1.165 . . . . 0.0 109.622 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' A' ' 24' ' ' ASP . 14.5 ptpt -168.67 172.97 7.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.017 -1.052 . . . . 0.0 109.504 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -79.18 165.28 23.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.94 -1.1 . . . . 0.0 109.356 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -133.16 162.38 31.91 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.153 -0.967 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 33' ' ' LEU . 57.5 tttp -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.964 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -74.57 -31.52 62.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.78 -1.2 . . . . 0.0 110.245 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.9 -42.07 77.39 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.395 -0.816 . . . . 0.0 111.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -70.03 -34.74 73.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.084 -1.01 . . . . 0.0 111.059 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 33' ' ' LEU . 62.5 tttm -60.61 -36.51 78.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.911 -1.118 . . . . 0.0 109.556 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 39' ' ' THR . 95.7 m-20 -66.09 -40.64 90.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.274 -0.891 . . . . 0.0 110.45 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD21 ' ND1' ' A' ' 18' ' ' HIS . 54.2 mt -64.57 -39.97 94.7 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 111.689 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.4 mt -76.97 -41.8 41.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.586 -1.321 . . . . 0.0 111.468 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.15 -21.0 63.12 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.158 -0.964 . . . . 0.0 108.742 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.9 p -73.4 -59.01 2.91 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.824 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 41' ' ' LEU . 20.2 mm-40 -111.96 -29.41 7.65 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.947 -1.096 . . . . 0.0 112.133 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.1 mp -109.42 29.07 7.89 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 120.944 -1.098 . . . . 0.0 110.798 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.9 p -59.92 -43.07 95.12 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.987 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.0 p -74.37 -31.76 62.51 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.823 -1.173 . . . . 0.0 111.038 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -79.98 -69.77 0.56 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.9 -1.125 . . . . 0.0 110.26 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -81.07 97.36 7.49 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 44.5 t0 -54.26 137.71 40.61 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.478 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -164.88 -56.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.997 -1.064 . . . . 0.0 110.683 -178.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.575 ' H ' HG13 ' A' ' 47' ' ' VAL . 2.2 pt20 -60.0 -46.87 88.05 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.968 -177.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -70.75 -39.95 72.98 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.733 -1.229 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -105.52 82.92 1.87 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.463 1.125 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.81 -25.96 65.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.556 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.67 -23.24 62.47 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.595 -1.315 . . . . 0.0 107.688 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.54 -36.05 82.95 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.7 p -78.95 -25.97 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.433 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.97 -40.01 75.63 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.694 -1.254 . . . . 0.0 108.752 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -70.19 -40.02 74.88 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -65.33 -36.35 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-O 121.8 0.81 . . . . 0.0 108.871 -179.131 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 3.5 tmm? -80.51 -27.02 37.81 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -60.9 -41.91 97.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.587 -0.695 . . . . 0.0 109.946 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -69.42 -25.04 63.93 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 77' ' ' LEU . 4.9 mp -80.09 -71.07 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.833 0.825 . . . . 0.0 109.64 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 93.5 m-20 -74.64 41.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.3 tt0 -51.26 -17.53 0.73 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 62' ' ' ASP . 23.3 m120 -82.72 -8.34 59.6 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.224 0.535 . . . . 0.0 109.678 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.83 62.89 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 33.0 p-10 -87.82 -7.27 57.49 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.782 -1.422 . . . . 0.0 110.352 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.03 -4.09 1.86 Allowed Glycine 0 N--CA 1.501 3.017 0 O-C-N 120.865 -1.147 . . . . 0.0 110.534 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.7 mt-10 -123.99 136.4 54.27 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.8 t -99.38 138.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.402 -0.811 . . . . 0.0 109.939 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.3 m-20 -74.16 28.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.606 -0.684 . . . . 0.0 110.373 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 22.7 p90 53.38 -48.19 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.653 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.5 tt0 -60.03 -40.07 88.1 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.451 -1.406 . . . . 0.0 108.994 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.696 -1.252 . . . . 0.0 109.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.672 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.6 t80 -60.23 -49.72 76.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.609 -0.682 . . . . 0.0 112.099 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -29.14 40.66 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 O-C-N 120.38 -1.45 . . . . 0.0 110.211 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.19 -55.93 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.531 -1.356 . . . . 0.0 113.324 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -70.55 -40.14 73.56 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 119.761 -1.837 . . . . 0.0 112.907 -176.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 74' ' ' PHE . 1.6 m -75.94 -27.2 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.058 -1.651 . . . . 0.0 110.931 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.85 73.72 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.613 -1.305 . . . . 0.0 109.251 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.36 68.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -69.45 -39.72 77.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.979 -1.076 . . . . 0.0 110.182 -179.046 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 78' ' ' VAL . 76.8 p -67.0 -44.91 79.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.033 -1.042 . . . . 0.0 111.818 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.7 p -69.15 -43.7 81.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.006 -1.059 . . . . 0.0 110.667 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.493 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.58 -42.92 99.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.0 111.115 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -60.04 -39.97 87.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.118 -0.989 . . . . 0.0 110.627 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 20.7 m120 -60.35 -40.09 89.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.915 -1.116 . . . . 0.0 110.262 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.46 -26.53 62.76 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.992 -1.067 . . . . 0.0 109.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -40.08 88.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.058 -1.026 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.891 . . . . 0.0 109.494 -179.742 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.497 0.665 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.682 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -60.03 -49.82 76.16 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 110.569 -179.323 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 60.7 tp -67.32 -47.68 69.82 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.676 -1.265 . . . . 0.0 109.167 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.71 -40.01 90.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.964 . . . . 0.0 108.703 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m -62.46 -22.24 66.07 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.501 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -68.77 -35.98 77.74 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -37.82 47.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.954 -1.091 . . . . 0.0 109.896 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.84 -25.61 63.83 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 122.347 1.07 . . . . 0.0 109.019 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -72.8 -58.27 3.47 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.454 -177.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.93 -24.63 63.4 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.353 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.57 -31.61 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.68 -1.262 . . . . 0.0 110.108 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.82 -43.9 62.13 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.301 -0.874 . . . . 0.0 110.714 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 m -73.52 -32.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 122.508 1.146 . . . . 0.0 108.557 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.65 -40.08 95.95 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.843 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.6 -10.63 48.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.47 62.44 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.165 -0.96 . . . . 0.0 109.0 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' HD21 ' B' ' 36' ' ' LEU . 77.7 m80 -98.01 -34.76 10.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.572 -0.705 . . . . 0.0 111.116 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -60.04 -39.21 85.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 0.0 110.442 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.21 43.42 1.67 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -81.7 -68.44 0.69 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.384 -1.068 . . . . 0.0 108.521 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -124.73 -8.72 7.32 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.276 -0.57 . . . . 0.0 112.31 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -177.02 -174.62 43.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.5 m-20 50.07 37.8 15.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -15.92 59.41 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.488 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 38.5 t80 -89.97 -8.8 50.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.885 -1.134 . . . . 0.0 109.631 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 24' ' ' ASP . 14.6 ptpt -168.74 172.69 7.72 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.97 -1.081 . . . . 0.0 109.404 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 28' ' ' LEU . 27.9 tp -79.04 165.34 23.51 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.963 -1.086 . . . . 0.0 109.465 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p -132.63 162.68 30.7 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.177 -0.952 . . . . 0.0 109.987 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' B' ' 33' ' ' LEU . 57.6 tttp -60.0 -39.71 86.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.943 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -75.28 -31.26 60.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.751 -1.218 . . . . 0.0 110.375 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.98 -41.94 77.2 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.481 -0.762 . . . . 0.0 111.637 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -70.07 -35.22 74.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.195 -0.94 . . . . 0.0 110.891 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.9 tttm -60.03 -36.61 77.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 109.667 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 96.1 m-20 -66.4 -40.02 89.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.548 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' ND1' ' B' ' 18' ' ' HIS . 54.0 mt -65.12 -40.07 93.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 111.602 -178.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 42' ' ' SER . 52.5 mt -76.59 -42.42 42.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.588 -1.32 . . . . 0.0 111.46 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -69.96 -21.08 63.28 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.055 0.931 . . . . 0.0 108.739 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.8 p -72.81 -59.79 2.55 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.297 -0.877 . . . . 0.0 110.619 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.438 ' C ' HD12 ' B' ' 41' ' ' LEU . 19.5 mm-40 -111.5 -29.36 7.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.991 -1.068 . . . . 0.0 112.336 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.438 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.59 29.34 7.67 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.952 -1.093 . . . . 0.0 110.621 -177.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.1 p -60.11 -42.93 95.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.884 -1.135 . . . . 0.0 111.11 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.2 p -74.45 -32.0 62.45 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.0 111.012 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.07 -69.75 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 110.222 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.2 mm? -80.97 97.55 7.52 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 45.1 t0 -53.96 137.9 38.19 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.586 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.5 p -165.3 -56.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.004 -1.06 . . . . 0.0 110.549 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.586 ' H ' HG13 ' B' ' 47' ' ' VAL . 2.2 pt20 -59.84 -46.4 89.38 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -71.14 -39.8 71.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.721 -1.237 . . . . 0.0 109.32 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -105.67 83.18 1.9 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.374 1.083 . . . . 0.0 108.992 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.626 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.98 -26.41 66.0 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.252 -0.905 . . . . 0.0 109.451 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.1 p-10 -70.15 -23.89 63.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.632 -1.292 . . . . 0.0 107.623 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -63.04 -38.61 91.89 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.626 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.1 p -77.3 -25.82 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 C-N-CA 119.347 -0.941 . . . . 0.0 110.662 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.87 -39.98 76.02 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.777 -1.202 . . . . 0.0 108.635 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.41 -39.91 74.17 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.831 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.431 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -65.5 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.095 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 3.4 tmm? -80.27 -27.22 38.65 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.686 0.755 . . . . 0.0 109.061 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.58 -42.33 96.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.497 -0.752 . . . . 0.0 110.07 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.12 -25.19 64.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.407 -0.808 . . . . 0.0 108.848 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 HD11 ' B' ' 77' ' ' LEU . 4.6 mp -80.08 -70.87 0.49 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.808 0.813 . . . . 0.0 109.628 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 94.1 m-20 -74.83 41.66 0.16 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.5 tt0 -51.28 -17.24 0.67 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.481 ' N ' ' C ' ' B' ' 62' ' ' ASP . 21.6 m120 -82.85 -8.45 59.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.25 0.548 . . . . 0.0 109.672 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.99 28.02 63.31 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.238 -0.914 . . . . 0.0 110.978 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 33.3 p-10 -87.45 -7.7 57.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.75 -1.441 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.12 -3.61 2.18 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 120.885 -1.134 . . . . 0.0 110.458 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' B' ' 66' ' ' ASP . 36.9 mt-10 -124.23 136.36 54.1 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 71' ' ' PHE . 24.9 t -99.27 138.09 24.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.665 ' O ' ' N ' ' B' ' 72' ' ' GLN . 82.3 m-20 -74.04 28.17 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.549 -0.719 . . . . 0.0 110.293 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 22.6 p90 53.67 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.4 tt0 -59.98 -39.87 87.2 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.473 -1.392 . . . . 0.0 109.049 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.22 -43.61 95.86 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.624 -1.297 . . . . 0.0 109.558 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.66 ' O ' HG22 ' B' ' 78' ' ' VAL . 63.5 t80 -60.31 -49.73 76.43 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.717 -0.614 . . . . 0.0 112.08 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -29.7 40.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 120.212 -1.555 . . . . 0.0 110.066 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -56.29 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.019 -1.05 . . . . 0.0 113.321 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.724 HD22 ' H ' ' B' ' 77' ' ' LEU . 0.0 OUTLIER -71.15 -39.87 71.67 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 119.752 -1.843 . . . . 0.0 113.043 -176.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -75.97 -27.13 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.026 -1.671 . . . . 0.0 110.96 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.87 73.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.5 -1.375 . . . . 0.0 109.276 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.15 68.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.54 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -69.46 -39.78 77.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.017 -1.052 . . . . 0.0 110.148 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 78' ' ' VAL . 82.2 p -67.08 -45.53 77.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.039 -1.038 . . . . 0.0 111.712 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.489 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.9 p -68.27 -43.88 84.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.924 -1.11 . . . . 0.0 110.65 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.489 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.86 -42.52 99.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.996 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.02 -40.31 88.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.126 -0.984 . . . . 0.0 110.705 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.7 m120 -60.22 -39.91 88.32 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.929 -1.107 . . . . 0.0 110.375 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.64 -26.54 62.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.967 -1.083 . . . . 0.0 108.967 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 109.96 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.717 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -59.99 -44.82 94.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.44 -0.787 . . . . 0.0 110.268 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 60.3 tp -68.77 -52.61 28.52 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.532 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 10' ' ' THR . 31.5 m -61.7 -22.96 65.79 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.99 -37.25 75.66 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.764 -0.585 . . . . 0.0 111.038 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtt -80.96 -35.02 32.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.78 -1.2 . . . . 0.0 110.221 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.09 -29.26 66.2 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.453 1.121 . . . . 0.0 108.113 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -69.73 -59.02 3.21 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.917 -177.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.99 -28.1 65.25 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.119 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.25 -39.82 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.093 -1.004 . . . . 0.0 109.831 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -65.3 -39.89 93.1 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.225 1.012 . . . . 0.0 109.456 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -24.43 16.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -35.98 75.8 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -88.68 -9.03 53.5 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.78 54.89 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.987 -1.07 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 22.7 t-80 -112.55 -25.8 8.98 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.576 -0.702 . . . . 0.0 112.024 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 43.4 t -59.95 -39.02 84.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.897 -1.127 . . . . 0.0 110.74 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.34 0.82 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -87.16 -48.89 7.68 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -1.113 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.95 -33.08 6.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.847 -0.533 . . . . 0.0 111.406 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 25' ' ' LYS . . . -169.39 -166.05 27.77 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.7 m-20 50.02 29.17 3.31 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' GLY . 3.6 tmtt? -65.48 -19.63 66.01 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.124 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.64 -11.71 36.29 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.731 -1.23 . . . . 0.0 110.685 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' ASP . 84.0 tttt -160.26 161.41 33.41 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.788 -1.195 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -79.09 162.19 26.02 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.689 -1.257 . . . . 0.0 108.515 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.6 m -136.86 166.61 23.22 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.797 -1.189 . . . . 0.0 110.169 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -59.87 -40.24 87.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.899 . . . . 0.0 112.396 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -77.85 -28.65 50.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.366 -1.458 . . . . 0.0 110.334 -177.716 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 19' ' ' SER . 94.0 mt-10 -65.06 -48.76 72.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 111.326 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -68.43 -34.51 76.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.844 . . . . 0.0 111.143 -179.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 55.7 tttm -64.93 -39.97 94.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.927 -1.108 . . . . 0.0 110.338 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 89.5 m-20 -61.2 -40.15 92.88 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.104 -0.998 . . . . 0.0 109.554 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 ' CB ' ' A' ' 18' ' ' HIS . 85.0 mt -60.38 -40.0 89.3 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.75 -35.6 38.53 Favored 'General case' 0 C--N 1.288 -2.099 0 O-C-N 119.952 -1.717 . . . . 0.0 110.965 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.54 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.9 mt-30 -69.77 -0.47 7.13 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 111.836 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -101.73 -50.88 3.58 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.057 -1.027 . . . . 0.0 111.648 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' HD22 ' A' ' 41' ' ' LEU . 42.5 mm-40 -111.89 -31.5 6.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.954 -1.091 . . . . 0.0 112.173 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 40' ' ' GLU . 1.4 mm? -110.36 28.7 8.39 Favored 'General case' 0 N--CA 1.513 2.714 0 O-C-N 120.924 -1.11 . . . . 0.0 110.706 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 m -61.44 -41.74 97.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.02 -1.05 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -70.06 -39.4 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.363 -0.835 . . . . 0.0 111.954 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.2 -67.71 0.73 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 109.591 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.4 mt -81.03 97.06 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.34 106.26 0.72 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.569 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HG2' ' A' ' 38' ' ' GLN . 1.3 p -124.49 -19.23 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.545 -0.722 . . . . 0.0 109.537 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -80.14 -68.02 0.71 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.04 -1.038 . . . . 0.0 112.803 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.74 -45.95 81.67 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 110.963 -176.003 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -97.15 77.66 2.72 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.543 -1.348 . . . . 0.0 109.498 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.87 -19.98 20.53 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.52 -21.67 57.78 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.6 81.05 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 51' ' ' ALA . 5.7 p -78.87 -24.77 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.235 -0.916 . . . . 0.0 110.223 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -70.09 -39.9 75.29 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.805 -1.184 . . . . 0.0 107.806 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.17 -39.26 75.39 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.618 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -70.74 -32.05 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.397 -178.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 ttp -83.71 -25.5 30.57 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.61 -36.37 78.42 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.4 mp -77.72 -65.13 1.0 Allowed 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.515 0.674 . . . . 0.0 109.784 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' C ' ' N ' ' A' ' 64' ' ' ASN . 96.9 m-20 -80.82 42.88 0.65 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.01 -13.9 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 62' ' ' ASP . 49.8 t30 -88.65 -6.23 57.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.09 33.64 69.73 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.2 p-10 -87.95 -5.67 58.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.035 -1.274 . . . . 0.0 110.6 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.83 -2.7 1.81 Allowed Glycine 0 N--CA 1.497 2.739 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.5 mt-10 -130.0 144.82 51.54 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.442 -1.034 . . . . 0.0 108.646 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 71' ' ' PHE . 40.6 t -113.65 149.03 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 CA-C-O 121.979 0.895 . . . . 0.0 111.756 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.635 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 44.0 t0 -85.49 23.33 1.37 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 30.2 p90 54.59 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 19.7 pt20 -60.05 -37.65 80.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.057 -1.652 . . . . 0.0 108.892 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -60.09 -40.0 88.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.18 -0.95 . . . . 0.0 108.89 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HA ' HD21 ' A' ' 61' ' ' LEU . 59.0 t80 -64.53 -49.24 72.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.7 -39.9 77.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 120.81 -1.181 . . . . 0.0 111.419 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -68.41 -34.75 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.48 -1.388 . . . . 0.0 111.217 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 57' ' ' ILE . 13.9 tp -63.4 -58.08 8.23 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.942 -1.098 . . . . 0.0 111.315 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.91 -22.44 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.614 . . . . 0.0 110.686 -178.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.48 -49.76 57.38 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.178 -0.952 . . . . 0.0 110.216 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.73 74.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.203 -0.936 . . . . 0.0 112.121 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.55 -46.83 74.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.738 -1.226 . . . . 0.0 111.12 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.6 -40.76 89.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.845 -1.159 . . . . 0.0 111.029 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -61.21 -42.13 92.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.387 -0.82 . . . . 0.0 109.394 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.15 92.58 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.646 -0.659 . . . . 0.0 110.14 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.11 -42.51 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.158 -0.964 . . . . 0.0 110.646 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.928 -1.108 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.93 -38.58 86.3 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.298 -0.876 . . . . 0.0 108.696 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.17 -40.97 91.83 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.291 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--N 1.303 -1.444 0 O-C-N 120.969 -1.082 . . . . 0.0 108.929 178.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.491 0.663 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.439 -0.788 . . . . 0.0 110.163 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.542 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 61.5 tp -68.55 -52.47 31.54 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.564 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -39.96 87.43 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 10' ' ' THR . 31.4 m -61.75 -23.17 65.99 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.42 -37.55 77.48 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.344 0.592 . . . . 0.0 110.961 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.4 mtt -80.9 -35.13 32.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.286 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.03 -29.04 65.99 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.475 1.131 . . . . 0.0 108.14 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -70.03 -59.0 3.18 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.819 -177.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.943 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.48 -39.4 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.216 -0.927 . . . . 0.0 110.035 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -65.82 -40.1 91.52 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.138 0.97 . . . . 0.0 109.499 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.06 -24.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.78 -36.03 75.38 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -88.48 -9.2 53.26 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.37 55.3 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.884 -1.135 . . . . 0.0 109.694 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.535 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 22.7 t-80 -112.63 -25.9 8.9 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.573 -0.704 . . . . 0.0 111.968 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 44.9 t -60.02 -39.29 85.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.859 -1.151 . . . . 0.0 110.745 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.88 52.14 0.83 Allowed Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -86.88 -49.29 7.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.285 -1.127 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -111.95 -32.9 6.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.854 -0.529 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.08 -166.11 27.58 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 27' ' ' LYS . 40.0 m-20 50.06 29.14 3.34 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -65.55 -19.6 65.99 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.081 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.37 -12.37 35.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.71 -1.244 . . . . 0.0 110.638 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' ASP . 84.3 tttt -160.07 161.21 33.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.778 -1.201 . . . . 0.0 109.681 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -78.96 162.23 26.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.652 -1.28 . . . . 0.0 108.507 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -136.53 167.1 22.01 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.853 -1.154 . . . . 0.0 110.168 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -60.11 -40.08 88.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 112.523 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.503 ' CD ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -78.22 -28.67 47.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.336 -1.478 . . . . 0.0 110.311 -177.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' B' ' 19' ' ' SER . 94.2 mt-10 -64.99 -48.89 72.36 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.327 -0.858 . . . . 0.0 111.273 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -34.53 76.29 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.334 -0.854 . . . . 0.0 111.178 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 54.9 tttm -64.8 -40.1 94.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.998 -1.063 . . . . 0.0 110.264 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 89.9 m-20 -61.27 -39.91 92.14 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.199 -0.938 . . . . 0.0 109.715 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' B' ' 18' ' ' HIS . 83.5 mt -60.7 -39.99 90.59 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -79.73 -35.74 38.4 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 119.989 -1.694 . . . . 0.0 111.028 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -69.54 -0.66 7.01 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 111.867 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -101.66 -50.94 3.57 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.995 -1.066 . . . . 0.0 111.545 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' HB2' HD22 ' B' ' 41' ' ' LEU . 43.2 mm-40 -111.88 -31.54 6.9 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.889 -1.132 . . . . 0.0 112.089 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 40' ' ' GLU . 1.5 mm? -110.14 28.29 8.76 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.981 -1.075 . . . . 0.0 110.862 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.9 m -61.32 -41.82 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.01 -1.056 . . . . 0.0 110.089 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -69.91 -39.61 76.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.314 -0.866 . . . . 0.0 111.981 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.03 -67.6 0.74 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.693 -1.255 . . . . 0.0 109.674 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.91 97.16 7.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.59 106.12 0.73 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.627 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG2' ' B' ' 38' ' ' GLN . 1.3 p -124.44 -19.13 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.609 -0.682 . . . . 0.0 109.575 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 -67.99 0.71 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.983 -1.073 . . . . 0.0 112.812 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.02 -45.35 83.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 111.149 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -97.45 77.44 2.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.441 -1.412 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.83 -20.13 21.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.21 -22.13 58.18 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.01 -37.26 87.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.1 p -77.8 -24.68 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.96 -40.13 75.6 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.753 -1.217 . . . . 0.0 107.765 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.94 -39.45 76.09 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.652 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -70.72 -32.14 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.712 -0.617 . . . . 0.0 109.386 -178.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.51 -25.37 31.12 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 122.388 1.09 . . . . 0.0 108.138 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -60.09 -40.13 88.54 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.46 -36.4 78.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.6 mp -77.73 -65.29 0.98 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.514 0.674 . . . . 0.0 109.848 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.471 ' C ' ' N ' ' B' ' 64' ' ' ASN . 96.7 m-20 -80.81 42.94 0.65 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.1 -13.63 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.471 ' N ' ' C ' ' B' ' 62' ' ' ASP . 49.7 t30 -88.93 -6.16 57.47 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.07 33.75 69.89 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.0 p-10 -87.91 -5.86 58.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.037 -1.273 . . . . 0.0 110.593 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.67 -2.38 1.88 Allowed Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.4 mt-10 -130.01 144.71 51.48 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.563 -0.963 . . . . 0.0 108.545 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.415 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.1 t -113.48 149.16 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 121.877 0.846 . . . . 0.0 111.733 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.638 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 44.3 t0 -85.61 23.28 1.41 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 29.2 p90 54.39 -47.36 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.629 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 19.5 pt20 -60.09 -37.65 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.125 -1.609 . . . . 0.0 108.83 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -59.99 -40.05 87.84 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 108.919 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.528 ' HA ' HD21 ' B' ' 61' ' ' LEU . 58.9 t80 -64.38 -49.53 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.62 -40.0 77.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 120.747 -1.22 . . . . 0.0 111.393 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 m -67.68 -35.38 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.731 -1.23 . . . . 0.0 111.191 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.652 HD21 HG13 ' B' ' 57' ' ' ILE . 13.5 tp -63.33 -58.12 8.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.972 -1.08 . . . . 0.0 111.424 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.462 ' H ' HG22 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.73 -22.56 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.65 -0.656 . . . . 0.0 110.667 -178.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -68.14 -50.21 56.12 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.84 74.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.252 -0.905 . . . . 0.0 112.191 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.53 -47.1 73.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.721 -1.237 . . . . 0.0 110.993 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -65.64 -42.03 91.91 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.928 -1.108 . . . . 0.0 111.032 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.29 -42.32 90.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.476 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.06 92.97 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.551 -0.718 . . . . 0.0 110.082 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.3 m -61.01 -42.64 98.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.0 110.629 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.31 -40.04 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.885 -1.134 . . . . 0.0 109.585 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.82 -38.8 86.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.643 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.86 -41.11 90.77 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.332 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.944 -1.098 . . . . 0.0 108.88 179.004 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' THR . 52.8 m . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 4.6 mm-40 -60.12 -49.76 76.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.336 -0.853 . . . . 0.0 109.213 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.71 -39.92 63.98 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -39.94 95.85 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 2' ' ' SER . 22.4 m -64.0 -21.19 66.39 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.16 -39.1 78.97 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.059 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 57.5 ttp -75.45 -40.0 58.11 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 110.928 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.01 66.04 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.383 -0.823 . . . . 0.0 111.294 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.6 t -78.53 -46.14 20.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.113 -0.992 . . . . 0.0 111.802 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -69.64 -27.04 64.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.167 -1.583 . . . . 0.0 109.009 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.85 -36.48 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.003 -1.061 . . . . 0.0 109.998 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -71.15 -41.49 70.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.974 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.41 -33.08 58.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 36.5 t80 -60.85 -40.07 91.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 40.6 t-80 -86.77 -7.4 58.29 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -30.88 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.935 -1.103 . . . . 0.0 110.706 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.09 -32.3 6.83 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.077 -1.015 . . . . 0.0 110.803 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.118 -0.989 . . . . 0.0 111.304 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.23 -5.21 90.22 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.965 -1.084 . . . . 0.0 110.636 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -26.41 44.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.949 -1.324 . . . . 0.0 108.694 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -89.3 -2.83 58.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 90.29 -32.82 4.77 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.9 m-20 -71.08 59.55 0.24 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' GLY . 4.2 ttpm? -78.05 -16.91 57.64 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 -177.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.48 -14.21 41.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.808 -1.183 . . . . 0.0 109.269 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' ASP . 2.7 ttmp? -153.88 155.1 35.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 28' ' ' LEU . 23.6 tp -84.86 169.95 13.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.89 -1.131 . . . . 0.0 108.542 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.517 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.7 t -137.81 166.52 23.79 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.988 -1.07 . . . . 0.0 110.425 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 87.1 tttt -59.88 -39.9 86.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.644 -0.66 . . . . 0.0 111.036 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -75.98 -34.54 59.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.814 -1.179 . . . . 0.0 110.412 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 29' ' ' SER . 58.6 mt-10 -61.84 -49.95 74.23 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 111.392 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -68.3 -32.25 72.25 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.554 -0.717 . . . . 0.0 109.855 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 51.4 tttm -62.22 -39.92 94.39 Favored 'General case' 0 C--O 1.192 -1.926 0 O-C-N 121.018 -1.051 . . . . 0.0 109.787 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 39' ' ' THR . 26.0 t0 -63.85 -40.41 96.5 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.65 -1.281 . . . . 0.0 110.137 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.9 -40.1 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.406 -0.809 . . . . 0.0 110.702 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.9 mt -73.82 -41.14 62.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.027 -1.046 . . . . 0.0 110.793 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.9 mt-30 -69.96 -25.23 63.53 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' ASP . 14.1 p -82.49 -55.3 4.57 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.209 -0.932 . . . . 0.0 112.223 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.5 mt-10 -111.31 -29.82 7.67 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.888 -1.132 . . . . 0.0 113.233 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.03 23.28 14.55 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 120.81 -1.181 . . . . 0.0 110.586 -177.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 37' ' ' LEU . 21.7 p -60.13 -40.24 89.09 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 m -62.23 -45.9 91.25 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.022 -1.049 . . . . 0.0 111.255 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -76.53 -68.79 0.56 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.004 -1.06 . . . . 0.0 110.341 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.7 mp -81.74 94.06 6.93 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 35.7 p-10 -59.64 83.06 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.113 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -95.34 -14.73 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.539 -0.726 . . . . 0.0 109.911 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.0 -67.49 0.76 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.021 -1.049 . . . . 0.0 112.529 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.78 -47.84 84.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 110.501 -176.396 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' ALA . 82.6 m-20 -94.34 78.69 3.92 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.115 -1.616 . . . . 0.0 109.29 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.567 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.22 -24.49 42.4 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.04 -20.68 63.23 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -31.54 72.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -76.64 -31.34 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.683 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.3 m-20 -66.42 -40.01 89.31 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.917 -1.114 . . . . 0.0 108.985 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.513 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -41.01 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HA ' HD22 ' A' ' 61' ' ' LEU . 27.5 ptm -82.47 -31.93 29.14 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 111.069 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.04 -39.94 91.72 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 122.571 1.177 . . . . 0.0 108.774 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.76 -40.12 94.02 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.24 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.026 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -106.39 -24.44 12.24 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.092 -1.005 . . . . 0.0 111.155 -178.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 1.026 ' N ' HD23 ' A' ' 61' ' ' LEU . 6.9 t0 -82.81 50.53 1.71 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.442 -1.411 . . . . 0.0 108.039 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -60.24 -10.59 4.76 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.35 -11.56 60.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.97 24.12 33.58 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 22.9 p-10 -91.18 -0.13 57.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.689 -0.889 . . . . 0.0 110.533 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.51 9.94 5.35 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.2 mt-10 -132.18 139.88 48.53 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 71' ' ' PHE . 43.3 t -109.4 137.46 41.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-O 121.385 0.612 . . . . 0.0 110.362 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 72' ' ' GLN . 37.5 t0 -72.84 17.73 0.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 36.5 t80 61.65 -50.75 0.13 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 122.075 -0.391 . . . . 0.0 111.131 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 tm0? -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.476 -1.39 . . . . 0.0 108.427 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 61' ' ' LEU . 51.6 mt-10 -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.106 -0.996 . . . . 0.0 108.635 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 78' ' ' VAL . 69.1 t80 -60.02 -44.88 94.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.681 -178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.05 -39.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.782 -1.199 . . . . 0.0 111.342 -177.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 76' ' ' VAL . 11.4 m -72.29 -37.45 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.3 -1.5 . . . . 0.0 111.63 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.83 -56.53 14.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.83 -1.169 . . . . 0.0 111.179 -178.041 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -74.86 -21.92 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.845 -0.535 . . . . 0.0 111.588 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -68.35 -46.5 69.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.728 -1.232 . . . . 0.0 109.393 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.78 75.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.355 -0.841 . . . . 0.0 110.944 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.2 -47.74 75.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.891 -1.13 . . . . 0.0 111.981 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.1 t -74.14 -41.78 61.0 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.95 -1.094 . . . . 0.0 111.635 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' N ' HG23 ' A' ' 82' ' ' THR . 49.5 t -60.67 -44.91 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.099 -1.001 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.383 -0.823 . . . . 0.0 109.784 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.94 -40.03 87.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.321 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.012 -1.055 . . . . 0.0 109.829 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.315 -0.865 . . . . 0.0 110.591 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.041 -1.037 . . . . 0.0 109.965 -179.65 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' B' ' 6' ' ' THR . 51.5 m . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.432 0.634 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 4.5 mm-40 -60.02 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.857 . . . . 0.0 109.227 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.65 -40.01 64.05 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.85 -39.94 95.93 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 2' ' ' SER . 21.1 m -63.91 -21.05 66.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -69.09 -39.75 78.84 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 122.013 0.911 . . . . 0.0 109.049 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.472 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 56.0 ttp -75.19 -39.85 59.84 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.127 -0.983 . . . . 0.0 110.891 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -29.84 65.83 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.399 -0.813 . . . . 0.0 111.181 -177.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 11' ' ' LEU . 11.6 t -78.51 -46.46 19.52 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 121.063 -1.023 . . . . 0.0 111.805 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -69.37 -27.06 65.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.342 -1.474 . . . . 0.0 108.942 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.36 -35.47 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 110.211 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -72.09 -41.26 67.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.3 -33.15 58.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.7 t80 -60.76 -40.05 91.02 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 16' ' ' HIS . 40.1 t-80 -87.16 -6.82 58.49 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.37 23.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.809 -1.182 . . . . 0.0 110.756 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.27 -32.24 6.81 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.049 -1.032 . . . . 0.0 110.749 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -63.2 -39.92 96.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.154 -0.966 . . . . 0.0 111.264 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -4.57 90.27 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.936 -1.126 . . . . 0.0 110.691 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -78.98 -26.28 43.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.898 -1.354 . . . . 0.0 108.497 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -89.49 -2.75 58.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.56 -0.712 . . . . 0.0 110.156 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 90.53 -33.29 4.64 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.9 m-20 -70.79 59.6 0.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' GLY . 4.1 ttpm? -78.32 -16.82 57.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.56 -177.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.47 -14.44 40.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.828 -1.17 . . . . 0.0 109.254 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' B' ' 24' ' ' ASP . 2.7 ttmp? -153.71 155.08 35.29 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 28' ' ' LEU . 23.5 tp -84.75 169.97 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.1 . . . . 0.0 108.668 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 36.4 t -137.25 167.11 22.22 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.001 -1.062 . . . . 0.0 110.475 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.506 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 87.1 tttt -60.04 -40.0 87.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.614 -0.679 . . . . 0.0 110.99 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -76.57 -34.1 58.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.857 -1.152 . . . . 0.0 110.536 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 29' ' ' SER . 58.9 mt-10 -62.08 -49.95 73.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 111.299 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.5 -31.94 71.57 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.353 -0.842 . . . . 0.0 109.916 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 51.9 tttm -62.36 -39.92 94.73 Favored 'General case' 0 C--O 1.193 -1.92 0 O-C-N 121.131 -0.981 . . . . 0.0 109.783 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.482 ' O ' HG23 ' B' ' 39' ' ' THR . 24.6 t0 -64.01 -39.93 95.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.626 -1.297 . . . . 0.0 110.297 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.33 -40.02 94.99 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 110.685 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.3 mt -73.74 -41.15 62.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.91 -1.119 . . . . 0.0 110.85 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.518 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.7 mt-30 -70.05 -24.98 63.35 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' B' ' 35' ' ' ASP . 12.7 p -82.96 -54.72 4.86 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.196 -0.94 . . . . 0.0 112.262 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.8 mt-10 -111.52 -29.95 7.56 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.895 -1.128 . . . . 0.0 113.208 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.4 mp -110.02 23.2 14.66 Favored 'General case' 0 N--CA 1.516 2.875 0 O-C-N 120.806 -1.184 . . . . 0.0 110.556 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 37' ' ' LEU . 24.8 p -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.165 -0.959 . . . . 0.0 110.611 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 57.8 m -62.82 -45.14 93.99 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 111.265 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.02 -68.86 0.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.8 mp -81.76 94.12 6.95 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 35.7 p-10 -59.81 83.12 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.99 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -95.48 -14.52 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.556 -0.715 . . . . 0.0 109.88 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.04 -67.78 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 112.508 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.533 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.4 -47.98 83.4 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.395 -0.816 . . . . 0.0 110.502 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.6 m-20 -94.29 78.55 3.95 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.237 -1.539 . . . . 0.0 109.465 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.11 -24.57 41.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.06 -20.26 63.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -66.46 -30.99 71.46 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.9 OUTLIER -77.17 -31.21 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.664 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.506 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 97.9 m-20 -66.65 -39.87 88.43 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.973 -1.079 . . . . 0.0 108.82 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -70.21 -39.96 74.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -40.79 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.219 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.45 ' HA ' HD22 ' B' ' 61' ' ' LEU . 27.2 ptm -82.75 -31.49 28.34 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.239 -0.913 . . . . 0.0 111.105 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.12 -40.05 92.33 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 122.569 1.176 . . . . 0.0 108.745 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.73 -40.01 93.57 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.273 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 1.003 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -106.75 -24.23 12.16 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.154 -0.966 . . . . 0.0 111.146 -178.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 1.003 ' N ' HD23 ' B' ' 61' ' ' LEU . 7.0 t0 -83.03 50.5 1.74 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.456 -1.402 . . . . 0.0 107.977 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.03 -10.81 4.65 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.49 -11.35 60.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.13 0.491 . . . . 0.0 109.68 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.63 24.67 32.98 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 23.1 p-10 -91.23 -0.43 57.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.666 -0.902 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.15 5.61 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 66' ' ' ASP . 43.2 mt-10 -132.4 139.96 48.28 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' B' ' 71' ' ' PHE . 44.2 t -109.34 137.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 121.422 0.63 . . . . 0.0 110.463 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 72' ' ' GLN . 36.1 t0 -73.05 17.58 0.12 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 36.5 t80 61.44 -50.63 0.13 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.027 -0.421 . . . . 0.0 111.272 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' B' ' 70' ' ' ASP . 1.6 tm0? -59.99 -40.01 87.7 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.369 -1.457 . . . . 0.0 108.363 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.505 ' C ' HD12 ' B' ' 61' ' ' LEU . 52.0 mt-10 -59.99 -40.38 88.98 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.121 -0.987 . . . . 0.0 108.561 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.834 ' O ' HG22 ' B' ' 78' ' ' VAL . 68.4 t80 -60.05 -44.58 94.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.568 -0.707 . . . . 0.0 111.716 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -40.7 83.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.748 -1.22 . . . . 0.0 111.125 -177.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.405 ' H ' HG22 ' B' ' 76' ' ' VAL . 13.5 m -71.43 -37.72 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 111.784 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -56.6 13.8 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.772 -1.205 . . . . 0.0 111.181 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.834 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -74.73 -21.53 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.82 -0.55 . . . . 0.0 111.638 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -68.66 -46.74 68.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.71 -1.244 . . . . 0.0 109.348 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.46 75.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.0 -48.37 74.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.884 -1.135 . . . . 0.0 111.885 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.5 HG23 ' N ' ' B' ' 83' ' ' VAL . 11.6 t -73.45 -42.82 61.47 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.924 -1.11 . . . . 0.0 111.486 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.5 ' N ' HG23 ' B' ' 82' ' ' THR . 46.9 t -60.11 -44.8 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.08 -1.013 . . . . 0.0 109.223 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.05 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.496 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -40.09 87.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.05 -1.031 . . . . 0.0 110.227 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.67 -40.16 92.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.037 -1.039 . . . . 0.0 109.951 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.24 -39.98 94.62 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.326 -0.859 . . . . 0.0 110.668 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 -179.628 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 121.282 0.563 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.01 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 0.0 109.476 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 41' ' ' LEU . 2.3 tt -70.64 -37.32 73.73 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.22 -40.07 92.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.684 0.754 . . . . 0.0 109.046 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 m -65.37 -20.96 66.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.62 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -71.07 -40.04 71.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.259 -0.9 . . . . 0.0 109.022 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.43 ' O ' HD12 ' A' ' 12' ' ' ILE . 27.0 ttt -71.02 -39.98 72.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.391 -0.818 . . . . 0.0 110.595 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.9 pt-20 -70.41 -34.47 72.55 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 -177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.614 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 15.4 t -79.06 -52.82 7.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.194 -0.941 . . . . 0.0 112.819 -176.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.56 ' N ' HG23 ' A' ' 10' ' ' THR . 1.9 pp -61.29 -26.67 67.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 119.988 -1.695 . . . . 0.0 108.715 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 8' ' ' MET . 77.1 mt -74.51 -33.6 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.708 -1.245 . . . . 0.0 109.865 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 88.8 m-20 -70.01 -44.32 69.58 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.331 -0.856 . . . . 0.0 110.891 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.6 m -69.97 -33.74 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 14' ' ' VAL . 41.6 t80 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.128 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -88.01 -10.38 50.52 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.57 -40.01 61.91 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.425 -0.797 . . . . 0.0 109.322 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -101.2 -34.67 9.58 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.474 -0.767 . . . . 0.0 111.031 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.2 m -59.88 -40.01 87.23 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.638 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.17 4.07 84.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -88.69 -20.97 24.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.512 -0.993 . . . . 0.0 109.615 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.95 -1.23 37.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.324 -0.86 . . . . 0.0 110.929 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.95 -13.64 64.06 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 27' ' ' LYS . 97.2 m-20 -85.14 37.3 0.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' GLY . 7.1 ttmm -51.41 -20.04 1.62 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.505 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -94.36 -14.51 25.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.658 -1.276 . . . . 0.0 110.641 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 24' ' ' ASP . 13.1 ttmt -149.92 151.81 34.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.003 -1.06 . . . . 0.0 109.136 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -79.72 163.1 24.77 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 28.7 t -135.16 164.46 27.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.893 -1.129 . . . . 0.0 110.431 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -58.87 -40.02 83.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.545 -0.722 . . . . 0.0 111.358 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -74.75 -29.91 61.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.641 -1.287 . . . . 0.0 110.377 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 81.4 mt-10 -65.9 -50.67 63.63 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.144 -0.972 . . . . 0.0 111.312 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -63.4 -30.36 71.5 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.05 -1.032 . . . . 0.0 109.709 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 33.5 tptt -59.99 -40.14 88.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.338 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' THR . 98.5 m-20 -70.97 -40.08 72.16 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.38 -0.825 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.0 mt -62.16 -41.35 98.22 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.021 -1.049 . . . . 0.0 111.854 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.7 -41.68 26.28 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.785 -1.197 . . . . 0.0 111.215 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -72.82 -10.06 59.37 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.436 -0.79 . . . . 0.0 109.113 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.1 p -81.83 -60.72 2.14 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.672 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.9 mt-10 -111.31 -29.84 7.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.269 -0.894 . . . . 0.0 111.641 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.647 HD21 HD22 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -106.76 26.25 10.25 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 120.884 -1.135 . . . . 0.0 110.313 -177.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -59.97 -45.97 90.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.059 -1.025 . . . . 0.0 111.318 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.9 t -69.97 -39.82 75.74 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 111.916 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.82 -66.72 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.637 -1.289 . . . . 0.0 110.172 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 ' OG1' ' A' ' 82' ' ' THR . 10.9 mp -81.31 97.78 7.84 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -56.61 140.21 47.51 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.9 p -169.43 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 120.92 -1.113 . . . . 0.0 110.259 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.6 pt20 -60.54 -46.11 91.4 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.317 -0.865 . . . . 0.0 110.705 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.965 -1.084 . . . . 0.0 109.72 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -104.1 82.26 1.94 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.188 -0.945 . . . . 0.0 108.935 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.994 -1.066 . . . . 0.0 108.176 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -60.02 -35.71 75.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.06 69.53 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.458 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.64 -28.77 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.009 -1.057 . . . . 0.0 109.486 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.67 -40.01 80.35 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.819 -1.176 . . . . 0.0 108.847 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -70.15 -40.04 75.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 122.009 0.909 . . . . 0.0 109.41 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.723 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.57 -37.37 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.04 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.3 mmm -73.8 -31.45 63.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 0.0 109.598 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.54 -40.07 81.98 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.758 -0.589 . . . . 0.0 109.938 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.98 -25.19 63.5 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 108.855 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.4 mp -89.98 -77.59 0.39 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.765 0.793 . . . . 0.0 110.871 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 83.0 m-20 -73.02 38.43 0.09 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.348 0.594 . . . . 0.0 110.304 -177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.2 pt-20 -62.32 -13.94 34.12 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -81.29 2.21 29.12 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.775 -0.578 . . . . 0.0 111.273 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.31 43.05 13.64 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' A' ' 68' ' ' GLU . 18.2 p-10 -140.88 96.25 2.98 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.28 25.12 0.01 OUTLIER Glycine 0 N--CA 1.506 3.315 0 O-C-N 121.925 -0.484 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' A' ' 66' ' ' ASP . 44.1 mp0 -129.76 133.78 47.21 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 71' ' ' PHE . 8.3 t -100.98 144.33 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.498 -0.751 . . . . 0.0 111.097 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.606 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 96.0 m-20 -74.68 21.35 0.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 14.3 p90 56.36 -39.22 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.079 0.552 . . . . 0.0 112.229 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.588 ' N ' ' O ' ' A' ' 70' ' ' ASP . 14.3 pt20 -69.94 -34.19 73.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.285 -1.509 . . . . 0.0 108.456 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -60.94 -40.05 91.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.13 -0.982 . . . . 0.0 108.609 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 78' ' ' VAL . 60.7 t80 -69.17 -40.33 78.21 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -60.09 -39.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 O-C-N 120.238 -1.539 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.87 -38.73 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.855 -1.153 . . . . 0.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HG13 ' A' ' 57' ' ' ILE . 42.5 tp -59.92 -56.91 15.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.175 -0.953 . . . . 0.0 112.624 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 74' ' ' PHE . 3.0 m -80.07 -21.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 O-C-N 121.734 -0.603 . . . . 0.0 111.372 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.42 -44.62 67.54 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 109.68 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.17 53.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.0 111.694 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.98 -40.01 90.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.046 . . . . 0.0 110.461 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' HD21 ' A' ' 45' ' ' LEU . 94.6 m -63.4 -43.01 98.75 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 122.124 0.964 . . . . 0.0 109.75 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' ALA . 51.7 t -61.61 -40.01 85.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.434 0.635 . . . . 0.0 110.125 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.89 96.49 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.454 -0.779 . . . . 0.0 111.38 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 15.2 p -62.16 -39.92 94.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.804 -1.185 . . . . 0.0 110.586 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 40.6 t30 -60.24 -40.47 90.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.032 -1.042 . . . . 0.0 110.378 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.43 -28.63 65.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.064 -1.023 . . . . 0.0 109.706 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.94 -44.45 94.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.497 1.899 0 CA-C-O 121.276 0.56 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -60.09 -49.91 75.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -0.919 . . . . 0.0 109.401 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.78 -37.29 73.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.43 -39.89 92.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.511 -0.743 . . . . 0.0 109.119 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.7 m -65.3 -20.94 66.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -71.12 -40.0 71.69 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 108.975 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.436 ' O ' HD12 ' B' ' 12' ' ' ILE . 27.3 ttt -70.7 -40.06 73.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 110.475 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.2 pt-20 -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.506 -0.747 . . . . 0.0 111.541 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.62 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.8 t -78.91 -52.66 7.98 Favored 'General case' 0 C--O 1.202 -1.424 0 O-C-N 121.196 -0.94 . . . . 0.0 112.8 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.552 ' N ' HG23 ' B' ' 10' ' ' THR . 1.9 pp -61.37 -26.8 68.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.917 -1.739 . . . . 0.0 108.625 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.436 HD12 ' O ' ' B' ' 8' ' ' MET . 76.7 mt -74.41 -33.49 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.699 -1.251 . . . . 0.0 109.843 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 90.0 m-20 -70.28 -44.02 69.26 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.168 -0.957 . . . . 0.0 111.002 -178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.474 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.5 m -69.93 -33.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.474 ' N ' HG23 ' B' ' 14' ' ' VAL . 41.7 t80 -60.09 -39.95 87.88 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.182 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -88.03 -10.45 50.25 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.07 61.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.508 -0.745 . . . . 0.0 109.266 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -101.09 -34.51 9.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.382 -0.824 . . . . 0.0 111.156 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -40.01 88.21 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.328 -0.857 . . . . 0.0 110.552 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.23 84.52 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -88.77 -21.16 23.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -1.013 . . . . 0.0 109.635 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.89 -1.16 38.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.286 -0.884 . . . . 0.0 110.937 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 90.05 -13.51 64.57 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 27' ' ' LYS . 97.3 m-20 -85.15 37.01 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 23' ' ' GLY . 6.5 ttmm -51.16 -19.98 1.36 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.508 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -94.49 -14.67 24.9 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.712 -1.243 . . . . 0.0 110.586 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 24' ' ' ASP . 12.4 ttmt -149.84 151.48 33.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.88 -1.138 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.42 162.89 25.21 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 29.8 t -134.03 165.73 24.37 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.961 -1.087 . . . . 0.0 110.445 -178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -59.95 -40.02 87.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.6 -0.687 . . . . 0.0 111.293 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -74.83 -30.02 61.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.682 -1.261 . . . . 0.0 110.393 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 81.3 mt-10 -65.8 -50.78 63.44 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.216 -0.927 . . . . 0.0 111.313 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -63.22 -30.66 71.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.675 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 35.5 tptt -59.93 -39.91 87.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 109.587 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' B' ' 39' ' ' THR . 98.4 m-20 -71.01 -39.71 72.22 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.47 -0.769 . . . . 0.0 111.047 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.2 mt -62.97 -41.18 99.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.011 -1.055 . . . . 0.0 111.71 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.66 -41.79 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.648 -1.283 . . . . 0.0 111.265 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.487 HE21 ' N ' ' B' ' 39' ' ' THR . 0.1 OUTLIER -72.62 -10.13 59.42 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-O 121.727 0.775 . . . . 0.0 109.093 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.1 p -81.81 -60.65 2.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.439 -0.788 . . . . 0.0 110.684 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.1 mt-10 -111.28 -30.05 7.58 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.251 -0.905 . . . . 0.0 111.558 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.655 HD21 HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -106.4 25.74 10.73 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 120.819 -1.175 . . . . 0.0 110.271 -177.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -60.0 -45.51 92.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 111.423 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.0 t -70.31 -39.94 74.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 111.89 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.7 -66.32 0.83 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.683 -1.26 . . . . 0.0 110.272 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.426 HD21 ' OG1' ' B' ' 82' ' ' THR . 10.7 mp -81.81 97.72 8.13 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -56.45 140.03 47.19 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.561 HG13 ' H ' ' B' ' 48' ' ' GLN . 3.1 p -169.32 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.961 -1.087 . . . . 0.0 110.239 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.561 ' H ' HG13 ' B' ' 47' ' ' VAL . 6.2 pt20 -60.56 -46.13 91.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.782 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -69.98 -39.95 75.64 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.873 -1.142 . . . . 0.0 109.728 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -104.06 81.91 1.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.161 -0.962 . . . . 0.0 109.143 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.429 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.0 -28.04 67.36 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.018 -1.051 . . . . 0.0 108.173 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -35.63 75.65 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -31.54 69.73 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.48 -28.65 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.021 -1.049 . . . . 0.0 109.565 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -68.76 -39.99 80.0 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 120.94 -1.1 . . . . 0.0 108.833 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -70.13 -40.19 74.96 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.959 0.885 . . . . 0.0 109.47 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.729 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -63.73 -37.01 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mmm -73.86 -31.44 63.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.852 . . . . 0.0 109.503 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -58.64 -40.17 82.66 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.745 -0.597 . . . . 0.0 109.961 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.04 -25.08 63.39 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.275 -0.891 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.2 mp -89.99 -77.55 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.793 0.806 . . . . 0.0 110.797 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 84.7 m-20 -72.99 38.29 0.08 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.391 0.615 . . . . 0.0 110.304 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' B' ' 61' ' ' LEU . 20.1 pt-20 -62.35 -13.55 30.21 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -81.55 2.07 30.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.915 -0.49 . . . . 0.0 111.216 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.43 43.03 13.25 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.3 p-10 -140.8 96.41 3.01 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.52 25.29 0.01 OUTLIER Glycine 0 N--CA 1.504 3.231 0 O-C-N 121.844 -0.535 . . . . 0.0 112.146 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' B' ' 66' ' ' ASP . 44.7 mp0 -130.04 133.64 46.86 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' PHE . 7.7 t -100.8 144.42 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.476 -0.765 . . . . 0.0 111.094 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.608 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 95.4 m-20 -74.76 21.38 0.11 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 14.3 p90 56.21 -39.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.059 0.544 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' B' ' 70' ' ' ASP . 14.3 pt20 -69.92 -34.27 73.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.287 -1.508 . . . . 0.0 108.56 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.82 -40.01 91.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.198 -0.939 . . . . 0.0 108.494 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' B' ' 78' ' ' VAL . 61.5 t80 -69.56 -40.03 77.04 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.98 -40.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.195 -1.565 . . . . 0.0 109.583 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -38.86 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.038 -1.039 . . . . 0.0 110.229 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.729 HD21 HG13 ' B' ' 57' ' ' ILE . 43.5 tp -60.05 -56.78 17.4 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.33 -0.856 . . . . 0.0 112.677 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.2 m -80.19 -21.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.686 -0.634 . . . . 0.0 111.373 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.39 -44.66 67.56 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.9 -45.2 52.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 111.743 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.67 -40.02 91.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.036 -1.04 . . . . 0.0 110.457 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.426 ' OG1' HD21 ' B' ' 45' ' ' LEU . 94.8 m -63.49 -43.06 98.36 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 122.074 0.94 . . . . 0.0 109.749 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 79' ' ' ALA . 46.3 t -61.44 -40.0 84.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-O 121.462 0.648 . . . . 0.0 110.071 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.49 95.88 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 111.512 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 15.5 p -62.22 -40.14 95.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.869 -1.145 . . . . 0.0 110.475 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.497 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 t30 -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.964 -1.085 . . . . 0.0 110.446 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -70.38 -28.58 65.21 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.045 -1.034 . . . . 0.0 109.742 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -44.21 94.79 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.158 -0.963 . . . . 0.0 110.03 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.53 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.6 p . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.14 -48.15 82.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.151 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -73.1 -38.64 66.3 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.3 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.6 m -64.23 -22.98 67.14 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -66.34 -40.01 89.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.116 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mtm -79.46 -32.89 42.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.732 -1.23 . . . . 0.0 110.964 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.81 -33.92 71.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.2 -0.937 . . . . 0.0 110.466 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 14.9 t -76.88 -43.89 34.14 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.419 -0.801 . . . . 0.0 111.762 -177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 10' ' ' THR . 3.2 pp -73.32 -27.74 61.69 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.189 -1.569 . . . . 0.0 109.588 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.07 -37.95 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.807 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -70.01 -39.94 75.55 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.955 0.883 . . . . 0.0 109.86 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.31 -29.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -63.47 -40.02 95.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CD2' ' NZ ' ' A' ' 25' ' ' LYS . 56.7 t-80 -81.26 -12.92 58.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.08 56.57 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.115 -0.991 . . . . 0.0 109.892 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 73.2 m80 -119.91 5.54 10.91 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.413 -0.805 . . . . 0.0 111.116 -178.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 1.2 t -54.19 -8.52 0.2 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.032 -1.043 . . . . 0.0 109.45 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' HIS . . . 117.81 38.36 0.83 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -57.36 -18.22 16.33 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 12.4 pt-20 -90.49 0.15 57.43 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.556 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' GLY . . . 154.37 162.12 10.94 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.7 t0 49.96 39.41 18.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.972 -1.31 . . . . 0.0 107.92 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 51.9 tptt -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.505 0.669 . . . . 0.0 109.639 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -81.59 -10.05 59.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.269 -0.895 . . . . 0.0 108.906 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -156.87 158.22 36.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.872 . . . . 0.0 109.08 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.64 162.66 26.08 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.0 t -136.83 165.44 25.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.846 -1.159 . . . . 0.0 110.464 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.01 -39.67 86.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.678 -0.639 . . . . 0.0 111.489 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.52 50.95 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.461 -1.399 . . . . 0.0 110.113 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 29' ' ' SER . 79.5 mt-10 -62.77 -48.39 79.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 110.439 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -72.39 -34.14 67.69 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.346 -0.846 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.11 -37.11 79.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.122 . . . . 0.0 108.567 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 39' ' ' THR . 29.8 t0 -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.763 0.792 . . . . 0.0 109.773 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 18' ' ' HIS . 88.3 mt -65.19 -39.97 93.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.347 -0.846 . . . . 0.0 111.628 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -74.55 -43.75 54.27 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.877 -1.139 . . . . 0.0 111.231 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -70.03 -20.6 63.25 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.382 -0.824 . . . . 0.0 109.465 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.5 p -80.34 -57.96 3.36 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.222 -0.924 . . . . 0.0 111.823 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 5.5 mt-10 -112.22 -29.48 7.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.393 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -110.04 25.73 11.46 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 120.958 -1.089 . . . . 0.0 110.431 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LEU . 10.2 p -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.992 -1.067 . . . . 0.0 111.33 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -68.15 -40.04 82.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 111.826 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.65 -68.86 0.61 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.799 -1.188 . . . . 0.0 109.826 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.57 97.65 7.28 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' CE ' ' A' ' 49' ' ' LYS . 78.1 m-20 -59.39 134.29 56.87 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.44 -38.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.011 -1.056 . . . . 0.0 109.976 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.84 -59.59 3.4 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.81 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' CG ' ' A' ' 46' ' ' ASP . 33.1 pttt -64.75 -43.27 93.85 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.2 m-20 -98.49 72.69 2.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.393 -1.442 . . . . 0.0 109.234 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.64 -19.74 2.57 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.797 -1.189 . . . . 0.0 108.004 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 50' ' ' ASP . 11.1 p-10 -73.64 -26.38 60.74 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.55 -36.35 82.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.815 -0.553 . . . . 0.0 109.658 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.6 p -78.28 -25.72 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.05 -40.0 75.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.648 -1.282 . . . . 0.0 108.412 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -70.07 -38.23 75.68 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.055 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.93 66.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.5 mmm -70.94 -32.83 69.83 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.072 0.939 . . . . 0.0 108.779 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -60.03 -45.89 91.29 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.581 0.705 . . . . 0.0 109.627 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.96 -39.25 69.51 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.988 0.899 . . . . 0.0 108.987 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.29 -79.74 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.564 0.697 . . . . 0.0 109.321 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 62.4 t0 -77.63 60.77 2.23 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.33 -13.73 1.52 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.5 t30 -79.24 -15.96 57.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.3 27.34 73.75 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 2.6 p30 -87.1 -5.33 59.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.147 -1.208 . . . . 0.0 109.91 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 75.85 0.49 64.47 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 40.6 mt-10 -127.87 145.46 50.94 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.369 -1.077 . . . . 0.0 108.721 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 t -113.81 149.88 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.745 0.783 . . . . 0.0 110.397 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -93.58 19.99 7.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.357 -0.839 . . . . 0.0 109.179 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 57.1 t80 66.75 -44.68 0.44 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 122.202 -0.311 . . . . 0.0 111.213 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.79 -38.6 91.72 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.365 -1.459 . . . . 0.0 109.212 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.93 -39.95 87.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.768 -1.208 . . . . 0.0 109.02 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 78' ' ' VAL . 34.6 t80 -67.85 -40.12 83.73 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -69.67 -40.07 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.669 -1.269 . . . . 0.0 112.526 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' B' ' 76' ' ' VAL . 74.5 t -70.06 -40.11 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.341 -1.475 . . . . 0.0 111.277 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -65.35 -56.0 15.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 111.628 -176.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 74' ' ' PHE . 26.9 m -73.52 -22.11 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.263 -0.898 . . . . 0.0 111.057 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -62.93 -50.4 71.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.027 -1.045 . . . . 0.0 109.0 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.1 91.89 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.56 -0.713 . . . . 0.0 111.591 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.46 -50.04 75.16 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.652 -1.28 . . . . 0.0 111.305 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.0 m -64.15 -40.02 95.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.011 -1.055 . . . . 0.0 111.056 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.93 -44.03 93.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.288 -0.883 . . . . 0.0 109.721 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.6 82.81 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.075 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.3 m -59.92 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -59.94 -40.08 87.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.838 -1.164 . . . . 0.0 109.187 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.86 -20.96 61.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.147 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 109.307 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.437 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.1 p . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.92 -48.36 82.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -73.01 -38.4 66.61 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.59 -40.04 94.81 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.437 ' N ' ' O ' ' B' ' 2' ' ' SER . 20.7 m -64.16 -23.05 67.18 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -66.32 -39.79 89.49 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.531 -0.73 . . . . 0.0 110.16 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtm -79.45 -33.12 42.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.405 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.4 pt-20 -70.61 -33.82 71.45 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 110.48 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.605 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.9 t -76.98 -43.96 32.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.495 -0.753 . . . . 0.0 111.786 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -73.43 -27.48 61.46 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.236 -1.54 . . . . 0.0 109.447 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.41 -37.74 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.044 -1.035 . . . . 0.0 109.964 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.1 m-20 -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.0 0.905 . . . . 0.0 109.936 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.22 -28.84 26.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 24.5 t80 -63.91 -40.04 95.58 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' B' ' 25' ' ' LYS . 56.1 t-80 -81.21 -13.08 58.93 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.63 -37.57 56.12 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.043 -1.036 . . . . 0.0 109.918 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' B' ' 20' ' ' GLY . 73.4 m80 -119.68 5.32 11.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.2 t -54.03 -8.91 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.097 -1.002 . . . . 0.0 109.393 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 18' ' ' HIS . . . 117.96 38.95 0.78 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -57.95 -17.96 20.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' B' ' 20' ' ' GLY . 12.4 pt-20 -90.68 -0.06 57.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.453 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' B' ' 20' ' ' GLY . . . 154.78 162.14 11.01 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.0 t0 49.98 39.42 18.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.964 -1.315 . . . . 0.0 107.792 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 16' ' ' HIS . 51.4 tptt -79.67 -10.03 59.73 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.593 0.711 . . . . 0.0 109.623 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -81.63 -10.09 59.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 108.986 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -156.92 158.08 36.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.395 -0.815 . . . . 0.0 108.982 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -78.37 162.63 26.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 16.8 t -136.38 165.85 24.83 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.837 -1.164 . . . . 0.0 110.537 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.716 -0.615 . . . . 0.0 111.693 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -30.69 49.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.542 -1.349 . . . . 0.0 110.081 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 29' ' ' SER . 79.3 mt-10 -62.62 -48.38 79.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.456 -0.777 . . . . 0.0 110.488 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.2 pp -72.37 -34.17 67.76 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.465 -0.772 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.11 -37.06 78.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 108.617 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.557 ' O ' HG23 ' B' ' 39' ' ' THR . 29.1 t0 -64.43 -39.55 94.05 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.692 0.758 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' B' ' 18' ' ' HIS . 89.9 mt -65.51 -40.03 92.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' B' ' 42' ' ' SER . 33.4 mt -74.62 -43.8 53.71 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.851 -1.156 . . . . 0.0 111.277 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.77 -20.9 63.47 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.329 -0.857 . . . . 0.0 109.434 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.3 p -79.96 -58.03 3.36 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.219 -0.926 . . . . 0.0 111.95 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.6 mt-10 -112.32 -29.48 7.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.069 -1.02 . . . . 0.0 112.373 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.95 25.46 11.76 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 121.005 -1.06 . . . . 0.0 110.489 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 37' ' ' LEU . 10.0 p -60.02 -40.07 88.02 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.981 . . . . 0.0 111.402 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -67.99 -39.98 83.14 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.969 -1.082 . . . . 0.0 111.844 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -78.65 -68.55 0.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.806 -1.183 . . . . 0.0 109.87 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.1 97.7 7.67 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' CE ' ' B' ' 49' ' ' LYS . 77.6 m-20 -59.45 134.11 56.71 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 118.502 -1.279 . . . . 0.0 107.582 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.3 -38.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.97 -1.081 . . . . 0.0 109.946 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.89 -59.22 3.71 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.865 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.406 ' CE ' ' CG ' ' B' ' 46' ' ' ASP . 33.9 pttt -65.33 -42.78 92.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.662 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.5 m-20 -98.78 72.68 1.98 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.544 -1.348 . . . . 0.0 109.329 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -52.92 -19.5 2.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.755 -1.216 . . . . 0.0 107.887 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -73.62 -26.83 60.97 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.34 -38.73 87.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.699 -0.626 . . . . 0.0 109.34 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -76.56 -25.51 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.371 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.38 -39.88 74.28 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.614 -1.304 . . . . 0.0 108.417 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -70.0 -38.32 75.92 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.886 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.82 65.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mmm -70.72 -32.91 70.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.127 0.965 . . . . 0.0 108.8 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -60.01 -45.75 91.73 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.672 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.11 -39.32 68.97 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.928 0.87 . . . . 0.0 108.957 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.02 -79.81 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.619 0.723 . . . . 0.0 109.384 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 63.3 t0 -77.7 60.91 2.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.42 -13.71 1.59 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' B' ' 62' ' ' ASP . 59.9 t30 -79.22 -15.83 57.44 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.2 27.2 73.98 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 2.6 p30 -87.0 -5.35 59.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.047 -1.266 . . . . 0.0 109.998 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.68 1.08 65.32 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 40.4 mt-10 -128.12 145.72 50.92 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.405 -1.056 . . . . 0.0 108.643 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -114.1 149.99 16.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-O 121.574 0.702 . . . . 0.0 110.456 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -93.83 20.05 8.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 56.3 t80 66.72 -44.88 0.44 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 122.237 -0.289 . . . . 0.0 111.188 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.58 -38.71 92.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.387 -1.446 . . . . 0.0 109.2 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.781 -1.199 . . . . 0.0 108.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.781 ' O ' HG22 ' B' ' 78' ' ' VAL . 33.9 t80 -67.64 -39.92 84.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -177.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 2.8 p -69.54 -40.98 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.585 -1.322 . . . . 0.0 112.375 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' A' ' 76' ' ' VAL . 72.9 t -69.45 -40.0 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.683 -1.261 . . . . 0.0 111.227 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.64 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -65.58 -56.11 14.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.171 -0.956 . . . . 0.0 111.794 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.781 HG22 ' O ' ' B' ' 74' ' ' PHE . 27.3 m -73.49 -22.18 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.26 -0.9 . . . . 0.0 111.031 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -62.8 -50.6 70.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 108.957 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.0 91.81 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.466 -0.772 . . . . 0.0 111.626 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.27 -50.02 75.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.632 -1.292 . . . . 0.0 111.389 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.0 m -64.16 -40.14 95.49 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 110.865 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.8 t -60.03 -43.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.33 -0.856 . . . . 0.0 109.707 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.33 83.01 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.644 -0.66 . . . . 0.0 109.938 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.005 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -60.04 -40.08 88.13 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.785 -1.197 . . . . 0.0 109.066 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.08 -20.89 61.59 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.188 -0.945 . . . . 0.0 109.228 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.35 -39.94 88.92 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.461 -0.774 . . . . 0.0 109.303 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.485 1.318 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 -179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 3' ' ' GLU . 28.9 t . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.783 0.801 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 12.4 mm-40 -101.64 -58.01 1.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.609 0.718 . . . . 0.0 112.187 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.3 88.9 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.81 -177.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -64.91 -40.03 94.43 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.671 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.6 m -62.93 -21.76 66.28 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.66 -35.33 75.07 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.654 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtt -81.54 -34.7 30.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.796 -1.19 . . . . 0.0 110.152 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.11 -28.11 65.13 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 122.495 1.141 . . . . 0.0 108.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -69.72 -58.0 4.44 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.625 -177.501 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.37 -26.98 63.03 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.117 -178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.95 -38.64 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.797 -1.189 . . . . 0.0 109.673 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -70.69 -40.01 73.15 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.878 0.847 . . . . 0.0 110.019 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -29.22 29.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 16.2 t80 -64.3 -40.05 95.16 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -87.84 -6.72 57.97 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.56 28.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.841 -1.162 . . . . 0.0 110.124 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -109.25 -30.18 8.13 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.355 -0.841 . . . . 0.0 111.083 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 96.6 p -60.93 -17.03 48.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.074 -1.016 . . . . 0.0 110.987 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.54 21.43 3.42 Favored Glycine 0 N--CA 1.502 3.043 0 O-C-N 120.947 -1.096 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -72.44 -27.37 62.28 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.155 -1.203 . . . . 0.0 108.199 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 98.9 mt-10 -108.28 -24.95 11.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.778 -0.576 . . . . 0.0 111.06 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.13 -162.52 21.89 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 49.9 37.89 14.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.011 -1.288 . . . . 0.0 108.28 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -81.17 6.01 15.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.726 -0.609 . . . . 0.0 110.317 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -71.05 -18.48 62.56 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -158.3 160.33 36.9 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 28' ' ' LEU . 33.2 tp -82.15 168.69 17.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.638 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 24.9 m -137.46 166.58 23.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.873 -1.142 . . . . 0.0 110.264 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.382 -0.824 . . . . 0.0 111.936 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -74.98 -29.97 61.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.457 -1.402 . . . . 0.0 110.579 -177.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 29' ' ' SER . 47.7 mt-10 -64.7 -51.01 64.68 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.221 -0.925 . . . . 0.0 111.476 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.472 -0.767 . . . . 0.0 111.705 -178.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.566 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 45.1 tttm -60.68 -40.07 90.8 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 109.81 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.895 ' O ' HG22 ' A' ' 39' ' ' THR . 57.6 t0 -63.14 -40.03 96.4 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.168 -0.957 . . . . 0.0 109.596 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.89 -39.71 86.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.67 . . . . 0.0 111.009 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.485 -1.385 . . . . 0.0 110.385 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.566 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 94.3 mt-30 -63.18 -38.97 93.28 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.268 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -75.02 -49.77 18.72 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.384 -1.447 . . . . 0.0 113.208 -177.047 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.554 ' C ' HD12 ' A' ' 41' ' ' LEU . 14.9 mt-10 -109.36 -28.55 8.9 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.624 -1.298 . . . . 0.0 113.153 -176.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.1 mp -111.25 25.6 11.56 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.786 -1.196 . . . . 0.0 111.387 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 p -60.13 -47.31 86.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.519 -1.363 . . . . 0.0 111.407 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.5 m -62.84 -40.08 96.32 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.886 -1.134 . . . . 0.0 111.318 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -79.49 -69.98 0.54 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.679 -1.263 . . . . 0.0 110.228 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 45' ' ' LEU . 11.1 mp -82.85 96.27 8.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.97 98.0 0.05 Allowed 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.386 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.05 -18.21 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -79.88 -70.02 0.54 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 112.928 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.468 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -57.61 -47.15 82.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.892 -1.13 . . . . 0.0 110.297 -176.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ALA . 95.7 m-20 -94.71 76.63 3.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.462 -1.399 . . . . 0.0 109.075 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.54 -23.64 41.43 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -66.06 -35.46 80.6 Favored 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -55.31 -27.44 46.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -79.52 -28.06 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.029 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.66 -40.01 73.27 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.755 -1.216 . . . . 0.0 108.04 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 2.9 mptp? -67.89 -40.34 83.52 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.94 0.876 . . . . 0.0 109.937 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.37 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.2 mmm -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.623 0.725 . . . . 0.0 110.148 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -59.99 -39.92 87.4 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -64.65 -39.0 92.93 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 74' ' ' PHE . 6.6 mp -78.04 -67.66 0.71 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.527 -0.733 . . . . 0.0 109.38 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.1 m-20 -80.9 40.58 0.54 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.371 -0.831 . . . . 0.0 109.195 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.7 -19.64 1.7 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 19.6 m120 -85.26 -3.0 58.67 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.713 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.14 32.05 65.98 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' A' ' 68' ' ' GLU . 7.3 m-20 -80.74 -18.11 48.81 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.152 -1.205 . . . . 0.0 110.177 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 -3.51 2.43 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.389 -1.884 . . . . 0.0 108.389 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.4 mt-10 -130.51 150.02 51.92 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 t -119.98 149.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.757 0.789 . . . . 0.0 111.739 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.5 m-20 -88.99 17.78 5.46 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 78.1 t80 62.92 -37.66 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.235 -0.291 . . . . 0.0 110.47 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.4 mt-30 -67.43 -38.88 85.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.646 -1.284 . . . . 0.0 108.239 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.19 -40.02 88.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 109.074 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.5 t80 -64.82 -47.14 79.09 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.539 -0.725 . . . . 0.0 112.829 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -60.08 -39.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.815 -1.178 . . . . 0.0 111.594 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.22 -39.93 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.527 -1.358 . . . . 0.0 111.123 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.27 -57.18 9.1 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.873 -1.142 . . . . 0.0 111.645 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 74' ' ' PHE . 3.6 m -73.54 -22.45 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.033 -1.042 . . . . 0.0 111.311 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.68 -48.27 72.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.776 -1.202 . . . . 0.0 109.188 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -39.89 75.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 111.461 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD23 ' A' ' 81' ' ' LEU . 8.3 tt -61.41 -51.2 69.76 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.922 -1.111 . . . . 0.0 111.072 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.9 t -63.02 -39.15 93.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.056 -1.027 . . . . 0.0 110.547 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 79' ' ' ALA . 56.1 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.067 -1.02 . . . . 0.0 109.608 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.468 -0.77 . . . . 0.0 111.439 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.2 p -65.2 -40.04 93.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.756 -1.215 . . . . 0.0 109.435 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.517 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 t30 -60.32 -39.88 88.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.492 -0.755 . . . . 0.0 110.402 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -67.55 -36.61 81.3 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 109.017 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.89 -40.38 88.55 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.601 -0.687 . . . . 0.0 110.635 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.426 -0.797 . . . . 0.0 109.995 -178.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' OE2' ' B' ' 3' ' ' GLU . 29.4 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.791 0.805 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.406 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 12.5 mm-40 -101.49 -57.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.552 0.691 . . . . 0.0 112.161 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -60.04 -40.51 89.62 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.562 -0.711 . . . . 0.0 109.721 -177.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -64.91 -39.97 94.35 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.769 -1.172 . . . . 0.0 108.677 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . 20.8 m -62.88 -21.64 66.14 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -70.07 -35.2 74.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.603 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.6 mtt -81.6 -34.27 31.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.672 -1.268 . . . . 0.0 110.102 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.29 -28.16 64.98 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 122.481 1.134 . . . . 0.0 108.069 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -69.62 -58.39 3.99 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.739 -177.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.99 -26.58 63.2 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.015 -1.053 . . . . 0.0 111.023 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -71.67 -37.76 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.769 -1.207 . . . . 0.0 109.771 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.39 -40.04 70.79 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.908 0.861 . . . . 0.0 109.954 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -28.75 27.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 16.5 t80 -64.47 -40.03 94.93 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.2 -5.94 58.12 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.62 26.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.87 -1.143 . . . . 0.0 110.054 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.0 -30.3 8.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.233 -0.917 . . . . 0.0 111.046 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 94.0 p -60.68 -17.49 48.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.06 -1.025 . . . . 0.0 110.979 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.21 21.48 3.48 Favored Glycine 0 N--CA 1.503 3.102 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.436 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -72.3 -27.41 62.43 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.192 -1.181 . . . . 0.0 108.28 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.46 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 98.7 mt-10 -108.31 -24.85 11.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.79 -0.568 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.8 -162.65 21.64 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 108.315 -1.914 . . . . 0.0 108.315 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 49.99 37.74 14.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.026 -1.279 . . . . 0.0 108.247 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -81.08 5.84 15.43 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.84 -18.91 62.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -158.08 160.07 36.97 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' B' ' 29' ' ' SER . 34.6 tp -82.16 168.73 17.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.803 -1.185 . . . . 0.0 108.548 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.546 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 31.0 m -137.27 166.65 23.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.822 -1.173 . . . . 0.0 110.273 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -59.99 -40.05 87.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.454 -0.779 . . . . 0.0 111.845 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.46 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -75.0 -29.61 60.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.562 -1.336 . . . . 0.0 110.718 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 29' ' ' SER . 47.7 mt-10 -64.95 -50.95 64.41 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.266 -0.896 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.06 -35.04 76.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.584 -0.698 . . . . 0.0 111.704 -178.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.619 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 45.9 tttm -60.8 -40.46 92.73 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 120.864 -1.147 . . . . 0.0 109.737 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.905 ' O ' HG22 ' B' ' 39' ' ' THR . 58.6 t0 -62.74 -40.06 96.05 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.08 -1.013 . . . . 0.0 109.681 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.529 -0.732 . . . . 0.0 111.003 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.0 -40.04 63.21 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 120.531 -1.356 . . . . 0.0 110.383 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.619 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 94.9 mt-30 -63.09 -39.3 94.31 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.293 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.905 HG22 ' O ' ' B' ' 35' ' ' ASP . 0.0 OUTLIER -74.79 -49.57 20.33 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.336 -1.477 . . . . 0.0 113.264 -177.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.6 mt-10 -109.12 -29.01 8.75 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.581 -1.324 . . . . 0.0 113.275 -176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.0 mp -111.25 25.84 11.3 Favored 'General case' 0 N--CA 1.52 3.066 0 O-C-N 120.728 -1.232 . . . . 0.0 111.393 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p -59.95 -47.8 84.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.553 -1.342 . . . . 0.0 111.415 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.826 -1.171 . . . . 0.0 111.479 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -79.63 -70.04 0.54 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.843 -1.16 . . . . 0.0 110.301 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.505 HD12 ' N ' ' B' ' 45' ' ' LEU . 11.2 mp -83.1 96.78 8.49 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.48 98.12 0.06 Allowed 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.6 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -115.12 -17.95 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -80.08 -69.98 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.013 -1.054 . . . . 0.0 113.012 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.49 -47.05 82.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.033 . . . . 0.0 110.341 -177.065 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.0 m-20 -94.74 76.16 3.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.468 -1.395 . . . . 0.0 109.109 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.1 -23.98 37.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.03 -35.41 80.47 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -55.59 -26.74 45.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -80.02 -27.81 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 110.263 -179.58 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -70.78 -40.04 72.83 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.781 -1.199 . . . . 0.0 108.04 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 2.7 mptp? -67.88 -40.61 83.51 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 122.005 0.907 . . . . 0.0 109.842 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -39.45 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.41 -28.57 62.07 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.575 -0.703 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -59.97 -40.02 87.65 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.41 -39.86 94.66 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 74' ' ' PHE . 6.6 mp -77.36 -67.68 0.69 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.54 -0.725 . . . . 0.0 109.574 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 93.2 m-20 -81.01 40.92 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.307 -0.871 . . . . 0.0 109.145 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -51.93 -19.44 1.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' B' ' 62' ' ' ASP . 20.0 m120 -85.45 -2.94 58.65 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.751 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.96 32.2 66.38 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 7.9 m-20 -80.84 -18.35 47.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -1.17 . . . . 0.0 110.134 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.22 -3.06 2.56 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.6 mt-10 -130.66 150.01 52.04 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 t -120.05 149.53 22.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-O 121.775 0.798 . . . . 0.0 111.747 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' GLN . 50.6 m-20 -88.7 17.59 5.4 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.63 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 78.3 t80 63.16 -37.71 0.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 122.168 -0.332 . . . . 0.0 110.515 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-30 -67.37 -38.94 85.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.564 -1.335 . . . . 0.0 108.196 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.24 -40.11 89.09 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.968 -1.083 . . . . 0.0 109.101 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.8 t80 -64.49 -47.49 78.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.39 -0.819 . . . . 0.0 112.846 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.9 p -59.99 -39.99 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 111.473 -176.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -40.09 80.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.275 . . . . 0.0 111.306 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.75 -57.43 8.03 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.832 -1.168 . . . . 0.0 111.609 -177.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.6 m -72.91 -22.5 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.065 -1.022 . . . . 0.0 111.348 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -66.19 -47.38 74.11 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.732 -1.23 . . . . 0.0 109.321 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.66 72.73 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 111.221 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 81' ' ' LEU . 8.3 tt -61.19 -51.71 67.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.943 -1.098 . . . . 0.0 111.066 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 83' ' ' VAL . 13.5 t -62.36 -39.61 93.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.914 -1.117 . . . . 0.0 110.423 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 51.5 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.128 -0.982 . . . . 0.0 109.551 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.46 89.53 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.415 -0.803 . . . . 0.0 111.24 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.0 p -64.72 -39.98 94.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.65 -1.281 . . . . 0.0 109.483 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 t30 -60.58 -40.04 90.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.352 -0.843 . . . . 0.0 110.471 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -67.24 -36.85 82.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.159 -0.963 . . . . 0.0 109.105 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.0 -40.12 88.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.659 . . . . 0.0 110.623 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.025 -179.066 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.3 p . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.76 -48.93 79.58 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.283 -0.885 . . . . 0.0 109.501 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -73.35 -39.97 64.79 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -63.07 -22.76 67.08 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -68.01 -39.73 83.11 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.369 -0.832 . . . . 0.0 109.779 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.51 -35.81 53.12 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.703 -1.248 . . . . 0.0 110.853 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.35 -32.77 70.61 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.285 -0.884 . . . . 0.0 110.834 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 7' ' ' ALA . 11.7 t -76.82 -45.53 28.27 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.233 -0.917 . . . . 0.0 111.736 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -71.28 -27.02 63.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.311 -1.493 . . . . 0.0 109.425 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.422 HD13 HD22 ' B' ' 86' ' ' ASN . 82.0 mt -74.47 -35.27 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.849 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.47 -42.84 70.88 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.992 0.901 . . . . 0.0 109.946 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.94 -32.94 53.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 64.3 t80 -60.92 -40.01 91.53 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -85.11 -11.49 55.05 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.94 57.66 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.171 -0.955 . . . . 0.0 109.781 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 58.2 t-80 -101.19 -36.48 8.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.267 -0.895 . . . . 0.0 110.907 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 m -55.65 -30.82 61.66 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.165 -0.959 . . . . 0.0 110.282 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.75 2.59 70.01 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -81.53 -26.26 35.23 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.496 -1.002 . . . . 0.0 109.749 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -96.95 -4.95 39.04 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.293 -0.879 . . . . 0.0 111.313 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 92.48 -12.38 69.87 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 27' ' ' LYS . 87.4 m-20 -87.03 37.82 0.78 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' GLY . 26.9 ttpt -56.12 -12.32 1.47 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.127 -178.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 64.2 t80 -88.26 -12.27 44.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.781 -1.199 . . . . 0.0 109.642 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.3 ttpm? -161.41 162.59 30.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.5 tp -81.97 162.65 22.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.849 -1.157 . . . . 0.0 108.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 7.4 m -131.9 163.81 27.48 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.163 -0.961 . . . . 0.0 109.11 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.933 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.71 -34.68 62.63 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.717 -1.24 . . . . 0.0 110.388 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 92.1 mt-10 -60.12 -49.67 76.74 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.466 -0.771 . . . . 0.0 111.193 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -68.06 -30.76 70.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.911 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.99 -39.96 93.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.834 -1.166 . . . . 0.0 109.473 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 92.4 m-20 -63.73 -40.07 95.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.371 -0.83 . . . . 0.0 110.298 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.87 -40.01 94.46 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.176 -0.953 . . . . 0.0 111.145 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' SER . 17.9 mt -73.85 -42.53 60.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.786 -1.197 . . . . 0.0 111.445 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.53 -16.95 61.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.401 -0.812 . . . . 0.0 109.617 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.9 p -84.37 -57.01 3.33 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.079 -1.013 . . . . 0.0 111.154 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 13.2 mt-10 -110.35 -29.9 7.92 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.054 -1.029 . . . . 0.0 112.395 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.27 24.54 12.86 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.883 -1.135 . . . . 0.0 109.838 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' LEU . 3.7 p -60.06 -45.67 92.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.9 m -63.18 -41.82 99.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.851 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -70.0 0.55 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.082 -1.011 . . . . 0.0 110.539 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.1 mm? -77.19 87.27 3.64 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -51.85 106.16 0.14 Allowed 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.06 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.9 -19.87 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.517 -0.74 . . . . 0.0 109.734 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.31 -60.84 1.96 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.98 . . . . 0.0 112.142 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.97 -46.65 88.74 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.918 -1.114 . . . . 0.0 110.105 -177.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 88.0 m-20 -97.42 77.25 2.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.469 -1.395 . . . . 0.0 109.697 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.62 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.35 -19.41 14.44 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.67 -27.63 61.34 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.74 -32.79 73.05 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.498 -0.751 . . . . 0.0 109.679 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.4 p -79.83 -29.56 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 119.212 -0.995 . . . . 0.0 109.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.71 -40.08 94.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.724 -1.235 . . . . 0.0 108.057 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.48 -39.93 73.93 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.508 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 61' ' ' LEU . 5.1 ppp? -81.99 -32.87 30.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.667 -1.27 . . . . 0.0 110.101 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' ' SD ' ' A' ' 58' ' ' MET . 36.1 ttpt -60.08 -43.83 95.2 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.069 -1.019 . . . . 0.0 111.022 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.94 -40.02 87.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.81 . . . . 0.0 111.805 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.021 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -94.44 -22.66 18.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.873 -1.142 . . . . 0.0 110.342 -178.262 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 1.021 ' N ' HD23 ' A' ' 61' ' ' LEU . 27.3 t70 -83.38 46.26 1.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.81 -1.181 . . . . 0.0 108.473 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.97 -13.83 3.05 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -75.57 -4.0 37.44 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.9 23.41 1.04 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 28.0 p-10 -90.22 1.35 56.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -1.001 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.78 10.14 7.97 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.7 mt-10 -130.73 146.58 52.23 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 71' ' ' PHE . 23.7 t -115.69 137.32 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 CA-C-O 121.754 0.788 . . . . 0.0 110.319 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.2 m-20 -78.28 15.11 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 40.3 t80 62.07 -43.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 95.9 mt-30 -60.1 -39.88 87.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.266 -1.521 . . . . 0.0 108.026 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 61' ' ' LEU . 75.7 mt-10 -60.19 -39.94 88.3 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -60.15 -44.51 94.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.72 -0.612 . . . . 0.0 111.486 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.99 -40.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.73 -1.231 . . . . 0.0 110.987 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.35 -39.95 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.111 -1.618 . . . . 0.0 111.216 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -57.68 4.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.992 -1.068 . . . . 0.0 112.789 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.77 HG21 ' CE2' ' A' ' 74' ' ' PHE . 24.0 m -77.96 -25.01 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.384 -0.822 . . . . 0.0 112.45 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.04 73.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.288 -1.507 . . . . 0.0 109.093 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.206 -0.934 . . . . 0.0 111.003 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -65.15 -49.13 71.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.963 -1.085 . . . . 0.0 110.745 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.8 t -67.31 -40.01 85.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.835 -1.165 . . . . 0.0 111.668 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' N ' HG23 ' A' ' 82' ' ' THR . 55.3 t -63.31 -47.03 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 110.186 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.12 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.796 -0.565 . . . . 0.0 110.187 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.98 -40.01 95.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 111.239 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.414 HD22 HD13 ' B' ' 12' ' ' ILE . 50.5 t-20 -60.08 -47.83 84.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.006 -1.059 . . . . 0.0 110.996 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 27.4 p30 -81.03 -14.74 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.019 -1.051 . . . . 0.0 110.316 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -88.63 -16.38 32.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.377 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.3 t80 . . . . . 0 N--CA 1.487 1.394 0 O-C-N 121.034 -1.041 . . . . 0.0 109.716 -179.735 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 7.3 p . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.88 -49.01 79.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.288 -0.883 . . . . 0.0 109.403 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.2 tt -73.2 -39.9 65.19 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.72 -40.0 95.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.1 m -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -67.9 -39.73 83.58 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.443 -0.785 . . . . 0.0 109.836 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.482 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -77.68 -35.74 51.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.733 -1.229 . . . . 0.0 110.815 -179.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.52 -32.74 70.32 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.21 -0.931 . . . . 0.0 110.806 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 7' ' ' ALA . 11.5 t -76.72 -45.63 28.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' HG23 ' B' ' 10' ' ' THR . 3.1 pp -71.18 -26.99 63.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.283 -1.511 . . . . 0.0 109.41 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.414 HD13 HD22 ' A' ' 86' ' ' ASN . 81.9 mt -74.66 -35.0 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.949 -1.094 . . . . 0.0 109.925 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -71.09 -42.63 69.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.254 -0.904 . . . . 0.0 109.907 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.99 -32.84 52.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 63.8 t80 -61.01 -40.02 91.97 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -84.9 -11.6 55.25 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.44 -40.06 58.09 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.537 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 58.1 t-80 -100.75 -36.79 8.98 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 110.947 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.1 m -55.65 -30.71 61.47 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.174 -0.954 . . . . 0.0 110.401 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.69 2.42 69.97 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.49 -26.09 35.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.571 -0.958 . . . . 0.0 109.718 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -97.0 -5.02 38.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.249 -0.907 . . . . 0.0 111.222 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 92.55 -12.37 69.93 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' B' ' 27' ' ' LYS . 87.6 m-20 -86.93 37.71 0.77 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 23' ' ' GLY . 26.9 ttpt -56.15 -12.29 1.47 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.224 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -88.1 -12.47 44.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.695 -1.253 . . . . 0.0 109.643 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.2 ttpm? -161.35 162.62 30.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.425 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' B' ' 33' ' ' LEU . 35.8 tp -81.88 162.43 22.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.782 -1.199 . . . . 0.0 108.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 6.5 m -131.57 163.91 26.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.066 -1.021 . . . . 0.0 109.077 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.16 87.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.047 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -75.0 -34.37 61.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 110.385 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 92.4 mt-10 -60.37 -49.38 77.81 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.428 -0.795 . . . . 0.0 111.09 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -68.23 -30.86 70.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.391 -0.818 . . . . 0.0 110.894 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.93 -40.01 94.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.768 -1.207 . . . . 0.0 109.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.634 ' O ' HG23 ' B' ' 39' ' ' THR . 92.8 m-20 -63.51 -39.91 95.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 0.0 110.601 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -39.98 92.62 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.2 mt -73.53 -42.88 61.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.696 -1.253 . . . . 0.0 111.499 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.42 -16.58 61.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 109.713 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.634 HG23 ' O ' ' B' ' 35' ' ' ASP . 7.0 p -84.76 -56.89 3.35 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.188 -0.945 . . . . 0.0 111.115 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.3 mt-10 -110.33 -29.89 7.93 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.112 -0.992 . . . . 0.0 112.306 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -110.25 24.24 13.25 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.874 -1.141 . . . . 0.0 109.896 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.544 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.9 p -60.01 -45.56 92.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.119 -0.988 . . . . 0.0 111.024 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.1 m -63.28 -41.69 99.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.976 . . . . 0.0 110.983 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 110.418 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.479 ' N ' HD22 ' B' ' 45' ' ' LEU . 4.1 mm? -77.17 87.4 3.63 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.09 105.96 0.13 Allowed 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.113 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -123.53 -19.95 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.46 -0.775 . . . . 0.0 109.773 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.17 -60.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.126 -0.984 . . . . 0.0 112.169 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.03 -46.04 90.83 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.862 -1.149 . . . . 0.0 110.167 -177.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.6 m-20 -98.07 76.91 2.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.431 -1.418 . . . . 0.0 109.644 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.608 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -55.99 -19.26 11.86 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -73.95 -27.78 61.18 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.28 -33.44 73.56 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.543 -0.723 . . . . 0.0 109.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.608 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -79.57 -29.45 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.949 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.757 -1.215 . . . . 0.0 108.118 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.59 -40.02 73.49 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.868 -0.52 . . . . 0.0 110.681 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.508 ' HA ' HD22 ' B' ' 61' ' ' LEU . 5.1 ppp? -81.87 -32.93 30.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.0 110.084 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.464 ' N ' ' SD ' ' B' ' 58' ' ' MET . 36.1 ttpt -60.03 -43.87 95.03 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.106 -0.997 . . . . 0.0 110.944 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.07 -39.95 86.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.473 -0.767 . . . . 0.0 111.793 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 1.017 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -94.39 -22.55 18.24 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.869 -1.145 . . . . 0.0 110.366 -178.293 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 1.017 ' N ' HD23 ' B' ' 61' ' ' LEU . 27.4 t70 -83.44 46.59 1.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.828 -1.17 . . . . 0.0 108.385 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.37 -13.59 3.62 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 66' ' ' ASP . 54.6 t-20 -75.75 -4.33 39.85 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.41 22.99 1.13 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 28.0 p-10 -89.94 1.08 56.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.532 -0.981 . . . . 0.0 110.422 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.03 9.96 8.26 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.7 mt-10 -130.61 146.67 52.17 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.527 HG12 ' H ' ' B' ' 71' ' ' PHE . 25.7 t -115.82 137.25 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 CA-C-O 121.68 0.753 . . . . 0.0 110.229 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.1 m-20 -78.32 15.24 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.597 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 41.0 t80 61.97 -43.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 70' ' ' ASP . 95.8 mt-30 -60.09 -39.85 87.56 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.304 -1.498 . . . . 0.0 108.145 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.41 ' C ' HD12 ' B' ' 61' ' ' LEU . 75.4 mt-10 -60.17 -40.01 88.47 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 108.62 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.791 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.0 t80 -59.92 -44.67 94.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.666 -0.646 . . . . 0.0 111.644 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -39.91 81.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 120.659 -1.276 . . . . 0.0 110.871 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 120.406 -1.434 . . . . 0.0 111.071 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -57.9 4.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.967 -1.083 . . . . 0.0 112.915 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.791 HG21 ' CE2' ' B' ' 74' ' ' PHE . 26.6 m -77.85 -24.91 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 0.0 112.402 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.24 -41.82 73.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.392 -1.442 . . . . 0.0 109.125 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.99 74.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.92 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -65.03 -49.06 71.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.09 -1.006 . . . . 0.0 110.759 -178.269 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.429 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.0 t -67.42 -40.39 85.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.836 -1.165 . . . . 0.0 111.578 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.429 ' N ' HG23 ' B' ' 82' ' ' THR . 55.1 t -62.91 -47.3 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.127 -0.983 . . . . 0.0 110.139 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.1 90.47 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.745 -0.597 . . . . 0.0 110.201 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.99 -39.98 95.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.425 -0.797 . . . . 0.0 111.31 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.422 HD22 HD13 ' A' ' 12' ' ' ILE . 50.1 t-20 -60.06 -47.69 84.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.049 -1.032 . . . . 0.0 111.084 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -81.2 -15.08 56.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.996 -1.065 . . . . 0.0 110.245 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -88.38 -16.28 33.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.307 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.043 -1.036 . . . . 0.0 109.564 -179.626 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 121.517 0.675 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 9.2 mt-10 -103.23 -58.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.682 . . . . 0.0 111.923 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -60.05 -41.19 91.8 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.189 -0.944 . . . . 0.0 110.007 -178.027 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -65.99 -40.04 90.84 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.557 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 10' ' ' THR . 6.5 m -59.28 -23.06 62.09 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -67.16 -37.66 84.13 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -80.7 -34.76 34.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.783 -1.198 . . . . 0.0 110.617 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -31.51 69.22 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.26 -178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 11' ' ' LEU . 7.4 t -77.79 -50.65 11.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.315 -0.865 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.561 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -66.29 -28.52 68.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.317 -1.489 . . . . 0.0 109.176 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -72.35 -34.28 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.47 -1.394 . . . . 0.0 109.858 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.32 -44.18 68.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.539 -0.726 . . . . 0.0 111.02 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -70.84 -31.07 44.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -62.53 -39.93 95.16 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.65 -8.18 58.38 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.3 28.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.503 -0.748 . . . . 0.0 109.705 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 20' ' ' GLY . 97.2 m-70 -113.72 -9.46 13.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.508 -0.745 . . . . 0.0 111.163 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 1.5 t -43.58 -18.1 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.239 -0.913 . . . . 0.0 110.412 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . 139.49 31.29 0.19 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -58.76 -24.81 62.29 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.07 0.02 57.35 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.659 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.79 -106.29 0.19 Allowed Glycine 0 N--CA 1.492 2.397 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.715 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.7 p-10 -79.61 80.33 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.316 -1.108 . . . . 0.0 110.568 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.37 9.03 7.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.85 . . . . 0.0 109.818 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 54.6 t80 -89.79 -9.95 47.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.125 -0.984 . . . . 0.0 109.472 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -158.29 160.04 36.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 108.946 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -80.98 160.65 24.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.984 -1.072 . . . . 0.0 108.908 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -137.62 168.29 19.97 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.794 -1.191 . . . . 0.0 110.331 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.76 -40.02 86.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.457 -0.777 . . . . 0.0 112.415 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.02 -29.04 43.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.189 -1.57 . . . . 0.0 109.751 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 19' ' ' SER . 95.9 mt-10 -67.09 -45.55 76.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 111.022 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.1 pp -69.95 -35.59 74.62 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.298 -0.876 . . . . 0.0 110.46 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 49.4 tttm -60.31 -34.53 73.93 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.052 -1.03 . . . . 0.0 109.229 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 39' ' ' THR . 44.2 t0 -67.65 -41.0 84.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.698 -1.252 . . . . 0.0 109.658 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.12 -43.54 95.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.75 . . . . 0.0 111.718 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -76.92 -40.0 48.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.76 -1.213 . . . . 0.0 110.821 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.5 mt-30 -70.03 -19.98 63.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.757 0.789 . . . . 0.0 109.123 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 35' ' ' ASP . 4.7 p -80.84 -60.44 2.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.361 -0.837 . . . . 0.0 112.071 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.4 mt-10 -111.1 -29.95 7.67 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.947 -1.096 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -109.06 28.5 8.43 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.065 -1.022 . . . . 0.0 110.16 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 37' ' ' LEU . 20.6 p -62.9 -40.81 98.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.114 -0.991 . . . . 0.0 111.506 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -73.6 -38.8 65.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.964 -1.085 . . . . 0.0 112.005 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.98 -63.92 1.25 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.684 -1.26 . . . . 0.0 109.868 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -80.67 99.0 7.95 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.01 132.95 55.52 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.649 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.87 -31.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.082 -1.011 . . . . 0.0 110.081 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.02 -59.98 2.58 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.2 -0.937 . . . . 0.0 111.934 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.63 -41.7 99.17 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.504 -0.748 . . . . 0.0 110.514 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 53' ' ' ALA . 3.9 p30 -101.33 72.6 1.44 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.862 -1.149 . . . . 0.0 109.359 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.16 -22.13 3.97 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.692 -1.255 . . . . 0.0 107.748 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -70.4 -27.23 64.13 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -63.06 -31.1 72.16 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -76.79 -30.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 109.116 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -66.91 -40.04 87.58 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.106 -0.996 . . . . 0.0 108.869 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -70.09 -39.91 75.28 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.056 0.931 . . . . 0.0 110.388 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -40.09 87.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.478 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.468 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 60.7 mtp -76.59 -37.46 56.45 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.078 0.942 . . . . 0.0 111.213 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.0 -34.33 73.19 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 122.839 1.304 . . . . 0.0 108.274 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.01 -49.92 75.77 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.648 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.806 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -110.28 -18.77 13.2 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.196 -0.94 . . . . 0.0 110.832 -178.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 64' ' ' ASN . 10.4 t0 -84.32 26.68 0.75 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' LEU . 44.8 mt-10 -50.08 -8.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.731 -0.606 . . . . 0.0 110.035 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -74.51 -5.92 45.48 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.161 -0.962 . . . . 0.0 108.688 179.437 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.42 21.47 48.61 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 68' ' ' GLU . 49.4 p-10 -90.17 0.01 57.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -1.015 . . . . 0.0 110.412 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.45 8.43 1.8 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 66' ' ' ASP . 50.9 mt-10 -130.3 139.91 50.69 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 71' ' ' PHE . 20.9 t -110.6 140.05 31.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-O 121.427 0.632 . . . . 0.0 110.375 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLN . 92.6 m-20 -74.27 15.14 0.35 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.418 -0.801 . . . . 0.0 109.729 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 70.1 t80 63.75 -48.17 0.26 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 122.025 -0.422 . . . . 0.0 110.629 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ASP . 62.9 tp60 -60.06 -37.99 81.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 107.835 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.622 ' HB3' HD12 ' A' ' 61' ' ' LEU . 87.6 mt-10 -59.94 -45.51 92.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 108.988 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' O ' HG22 ' A' ' 78' ' ' VAL . 92.1 t80 -60.02 -43.56 95.18 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -59.99 -39.95 81.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 120.704 -1.247 . . . . 0.0 110.235 -177.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.89 -40.01 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.59 -1.319 . . . . 0.0 111.663 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.76 -56.62 11.03 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.778 -1.201 . . . . 0.0 112.337 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 74' ' ' PHE . 13.1 m -73.82 -21.52 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.024 -1.048 . . . . 0.0 111.538 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.45 -50.57 58.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.875 -1.141 . . . . 0.0 109.744 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.07 83.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.405 -0.809 . . . . 0.0 111.304 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.42 -49.88 75.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 0.0 110.98 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.443 ' OG1' HD21 ' A' ' 45' ' ' LEU . 91.0 m -67.52 -40.13 85.08 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.27 -0.894 . . . . 0.0 112.021 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.83 -45.56 98.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.284 -0.885 . . . . 0.0 110.001 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.02 91.26 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.536 -0.727 . . . . 0.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.51 -39.96 89.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.066 -1.021 . . . . 0.0 110.414 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.89 -40.07 96.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.168 -0.958 . . . . 0.0 110.666 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.32 -39.98 94.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.045 -1.034 . . . . 0.0 109.716 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.26 -40.12 96.52 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.118 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 t80 . . . . . 0 C--N 1.304 -1.388 0 O-C-N 121.064 -1.023 . . . . 0.0 108.588 179.199 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.543 0.687 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 9.8 mt-10 -102.84 -58.16 1.92 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.632 -0.667 . . . . 0.0 111.961 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 1.0 OUTLIER -60.02 -41.25 91.75 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.229 -0.919 . . . . 0.0 110.019 -177.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -65.97 -39.82 90.71 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.977 -1.489 . . . . 0.0 108.575 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.445 ' O ' HG22 ' B' ' 10' ' ' THR . 7.1 m -59.41 -22.98 62.23 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.35 -37.61 83.52 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.404 0.621 . . . . 0.0 110.178 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.0 mmm -80.64 -34.89 34.59 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.808 -1.182 . . . . 0.0 110.589 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -31.19 68.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.164 -0.96 . . . . 0.0 110.268 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.546 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.5 t -78.03 -50.83 11.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.277 -0.889 . . . . 0.0 111.035 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.546 ' N ' HG23 ' B' ' 10' ' ' THR . 2.2 pp -66.09 -28.55 68.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.322 -1.486 . . . . 0.0 109.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.47 -34.17 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.485 -1.385 . . . . 0.0 109.941 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.91 -43.58 68.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.254 -0.904 . . . . 0.0 111.075 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.67 -31.34 45.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 2.0 t80 -62.38 -39.98 94.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -85.75 -7.91 58.47 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.13 -36.51 27.41 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.461 -0.774 . . . . 0.0 109.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 20' ' ' GLY . 97.4 m-70 -113.42 -9.51 13.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.172 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.5 t -43.74 -17.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.19 -0.944 . . . . 0.0 110.317 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 18' ' ' HIS . . . 139.43 31.53 0.19 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -58.95 -24.85 62.96 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.01 0.02 57.34 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.617 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.84 -106.29 0.19 Allowed Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.798 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 29.1 p-10 -79.59 80.65 5.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.21 -1.171 . . . . 0.0 110.491 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -81.51 8.99 8.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.399 -0.813 . . . . 0.0 109.809 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -89.88 -9.96 47.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.037 -1.04 . . . . 0.0 109.514 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.37 160.02 36.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 108.781 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' B' ' 33' ' ' LEU . 37.2 tp -80.97 160.78 24.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.999 -1.063 . . . . 0.0 108.805 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -137.09 169.03 18.46 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.869 -1.144 . . . . 0.0 110.264 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.1 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.669 -0.644 . . . . 0.0 112.514 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -28.88 41.84 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.289 -1.507 . . . . 0.0 109.818 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 19' ' ' SER . 95.9 mt-10 -67.13 -45.62 76.57 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 110.981 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.97 -35.82 74.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.238 -0.914 . . . . 0.0 110.498 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.8 tttm -60.14 -34.49 73.62 Favored 'General case' 0 C--O 1.196 -1.754 0 O-C-N 121.107 -0.996 . . . . 0.0 109.253 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 44.8 t0 -67.76 -40.07 84.08 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.69 -1.256 . . . . 0.0 109.858 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -43.37 98.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.422 -0.799 . . . . 0.0 111.727 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' B' ' 42' ' ' SER . 38.2 mt -76.86 -40.03 49.06 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.809 -1.182 . . . . 0.0 110.764 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.5 mt-30 -70.01 -20.15 63.29 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.635 0.731 . . . . 0.0 109.181 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -80.63 -60.51 2.28 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.51 -0.744 . . . . 0.0 112.047 -178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.4 mt-10 -111.17 -29.9 7.67 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.861 -1.149 . . . . 0.0 111.974 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -109.09 28.05 8.89 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.049 -1.032 . . . . 0.0 110.225 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 37' ' ' LEU . 19.8 p -62.49 -40.79 97.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.159 -0.963 . . . . 0.0 111.577 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -73.59 -38.99 64.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.924 -1.11 . . . . 0.0 111.913 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.99 -63.94 1.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.757 -1.214 . . . . 0.0 109.968 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.598 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.1 mm? -80.69 99.04 7.98 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.0 133.14 55.81 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.617 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -155.81 -31.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.052 -1.03 . . . . 0.0 109.997 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.03 -59.98 2.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.083 -1.01 . . . . 0.0 111.952 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -62.86 -41.08 99.24 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.512 -0.742 . . . . 0.0 110.547 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 53' ' ' ALA . 3.8 p30 -101.56 72.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.756 -1.215 . . . . 0.0 109.433 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.432 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -51.97 -22.14 3.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.62 -1.3 . . . . 0.0 107.792 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' B' ' 50' ' ' ASP . 90.4 m-20 -70.42 -27.34 64.2 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.93 -31.45 72.54 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.432 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -76.44 -31.19 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.931 . . . . 0.0 109.069 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -66.74 -40.02 88.16 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 121.132 -0.98 . . . . 0.0 108.964 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -70.16 -39.92 75.05 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.375 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -39.94 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 62' ' ' ASP . 62.6 mtp -76.41 -37.44 57.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.054 0.93 . . . . 0.0 111.212 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.08 -34.37 73.35 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.796 1.284 . . . . 0.0 108.256 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.99 -49.9 75.85 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.624 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.815 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -110.4 -18.79 13.16 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' B' ' 64' ' ' ASN . 10.5 t0 -84.33 26.42 0.77 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' B' ' 61' ' ' LEU . 45.0 mt-10 -49.84 -8.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.825 -0.547 . . . . 0.0 110.121 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -74.47 -6.65 49.54 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 108.733 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.96 21.64 52.99 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' B' ' 68' ' ' GLU . 49.8 p-10 -90.28 -0.04 57.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.433 -1.039 . . . . 0.0 110.405 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.56 8.21 1.8 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' B' ' 66' ' ' ASP . 50.3 mt-10 -130.12 139.83 50.86 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -110.46 140.02 31.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.38 0.61 . . . . 0.0 110.522 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 72' ' ' GLN . 92.4 m-20 -74.28 15.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 109.82 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 70.0 t80 63.75 -48.27 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 122.013 -0.429 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 62.3 tp60 -59.98 -38.12 81.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.578 -1.326 . . . . 0.0 107.77 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.626 ' HB3' HD12 ' B' ' 61' ' ' LEU . 87.5 mt-10 -59.94 -45.5 92.42 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 108.931 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.621 ' O ' HG22 ' B' ' 78' ' ' VAL . 91.9 t80 -59.97 -43.71 94.93 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -59.97 -39.97 81.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.512 -1.367 . . . . 0.0 110.223 -177.159 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.59 -40.02 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.9 -1.125 . . . . 0.0 111.648 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.84 -56.76 10.19 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 112.482 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.621 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.4 m -73.86 -21.25 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 111.51 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.61 -50.44 58.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.135 . . . . 0.0 109.734 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.99 82.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 111.273 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.44 -49.9 75.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.812 -1.18 . . . . 0.0 111.123 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.457 ' OG1' HD21 ' B' ' 45' ' ' LEU . 91.0 m -67.28 -41.27 85.73 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 111.776 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.76 -45.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 121.242 -0.911 . . . . 0.0 109.879 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.28 92.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.505 -0.747 . . . . 0.0 110.283 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 81.0 m -60.31 -40.07 89.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 110.398 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.7 -40.01 95.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.934 . . . . 0.0 110.735 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.3 -40.01 95.06 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.125 -0.984 . . . . 0.0 109.713 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -63.46 -40.06 96.12 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.006 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.051 -1.03 . . . . 0.0 108.612 179.242 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 19.0 m . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.01 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.261 -0.899 . . . . 0.0 109.282 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.5 tt -71.22 -39.44 71.72 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.06 -39.96 94.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -64.51 -22.6 67.01 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.66 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.42 -38.87 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.227 -0.921 . . . . 0.0 109.466 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.465 ' SD ' HG21 ' B' ' 82' ' ' THR . 62.9 mtm -78.1 -34.27 50.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.827 -1.171 . . . . 0.0 110.641 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 5.6 pt-20 -70.71 -32.95 70.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.962 -1.086 . . . . 0.0 110.654 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.65 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 11.3 t -77.37 -45.14 26.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.248 -0.908 . . . . 0.0 111.903 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 10' ' ' THR . 3.0 pp -70.93 -28.43 64.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.208 -1.558 . . . . 0.0 108.835 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.29 -37.35 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.144 -0.972 . . . . 0.0 109.777 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 15.1 m120 -70.02 -40.09 75.42 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.983 0.897 . . . . 0.0 110.109 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -32.01 42.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.2 t80 -62.99 -39.91 96.16 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.06 -9.62 54.99 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.0 51.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.644 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -103.69 -39.98 6.47 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.428 -0.795 . . . . 0.0 110.44 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 t -65.93 -23.49 66.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.106 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.1 -7.7 67.63 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -71.21 -31.81 68.06 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.762 -0.846 . . . . 0.0 108.728 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' ASP . 98.5 mt-10 -94.18 112.45 24.26 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -31.02 -31.66 0.01 OUTLIER Glycine 0 N--CA 1.502 3.098 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 22' ' ' GLU . 91.8 m-20 -71.41 47.4 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.725 -1.456 . . . . 0.0 107.733 178.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 28.3 mtmm -61.55 6.51 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.854 -0.529 . . . . 0.0 111.078 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ASP . 80.7 m-85 -86.75 -10.07 54.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.512 -1.367 . . . . 0.0 109.785 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.18 161.11 30.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.873 -1.142 . . . . 0.0 110.662 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 29' ' ' SER . 47.3 tp -83.29 166.24 18.68 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.523 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 41.1 t -137.07 164.54 28.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.798 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.294 -0.878 . . . . 0.0 111.199 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -70.53 -35.18 73.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.865 -1.147 . . . . 0.0 109.993 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 29' ' ' SER . 74.0 mt-10 -63.72 -50.08 70.55 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.294 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -66.34 -30.22 70.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.175 -0.953 . . . . 0.0 110.112 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 28.7 tptp -60.6 -39.98 90.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.304 -0.873 . . . . 0.0 109.539 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 39' ' ' THR . 47.2 t0 -68.91 -40.03 79.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.643 -0.661 . . . . 0.0 110.714 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.82 -40.04 91.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.268 -0.895 . . . . 0.0 111.432 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' CB ' HG11 ' A' ' 47' ' ' VAL . 24.7 mt -74.37 -44.09 53.66 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.893 -1.13 . . . . 0.0 111.345 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 13.4 pt20 -69.99 -20.05 63.31 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.396 -0.815 . . . . 0.0 109.389 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.1 p -81.59 -57.1 3.61 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.222 -0.924 . . . . 0.0 112.228 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.0 mt-10 -112.28 -25.83 9.07 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.026 -1.046 . . . . 0.0 112.968 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 4' ' ' LEU . 7.1 mp -109.95 23.65 14.08 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 120.687 -1.258 . . . . 0.0 109.928 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -59.92 -40.39 88.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.123 -0.985 . . . . 0.0 111.164 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.5 p -70.87 -40.94 72.0 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.881 -1.137 . . . . 0.0 111.464 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -78.59 -70.1 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.776 -1.203 . . . . 0.0 110.362 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -82.59 96.41 8.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 14.3 p-10 -59.41 97.85 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.133 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' CB ' ' A' ' 37' ' ' LEU . 1.2 p -111.08 -16.85 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.623 -0.673 . . . . 0.0 109.618 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.89 -60.05 2.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.0 -1.063 . . . . 0.0 112.389 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.96 -46.51 89.18 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.937 -1.102 . . . . 0.0 109.995 -177.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' ALA . 87.5 m-20 -99.15 78.46 2.24 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.626 -1.296 . . . . 0.0 109.718 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.43 -19.9 17.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 53.5 t0 -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.76 -34.41 78.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -78.18 -26.64 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.904 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -69.97 -37.67 75.86 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.706 -1.246 . . . . 0.0 108.034 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 122.171 0.986 . . . . 0.0 109.494 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -37.55 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.29 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.514 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 10.6 mmm -75.44 -33.07 60.87 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.776 0.798 . . . . 0.0 110.451 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.52 -40.01 85.09 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 122.46 1.124 . . . . 0.0 109.995 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -62.47 -40.39 96.5 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.908 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD23 ' H ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -103.73 -28.56 11.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.115 -0.991 . . . . 0.0 110.705 -178.323 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.667 ' H ' HD23 ' A' ' 61' ' ' LEU . 25.0 t0 -84.3 31.85 0.51 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.9 tt0 -49.71 -19.32 0.6 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.604 0.716 . . . . 0.0 109.2 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' ASP . 1.2 t-20 -72.62 -12.23 60.96 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.54 38.21 94.49 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 68' ' ' GLU . 1.2 m-20 -93.43 -9.15 39.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.993 -1.298 . . . . 0.0 110.137 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 0.93 9.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 106.768 -2.533 . . . . 0.0 106.768 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.5 mt-10 -130.06 146.54 51.73 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.514 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 16.8 t -115.78 136.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-O 121.472 0.653 . . . . 0.0 110.787 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLN . 90.9 m-20 -72.23 16.84 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.658 -0.651 . . . . 0.0 109.459 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 68.6 t80 62.59 -48.67 0.18 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 122.01 -0.431 . . . . 0.0 110.621 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' ASP . 64.0 tt0 -60.06 -38.53 83.12 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.615 -1.303 . . . . 0.0 107.816 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 61' ' ' LEU . 95.0 mt-10 -59.97 -39.98 87.51 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 76.2 t80 -62.14 -45.52 93.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.605 -0.684 . . . . 0.0 112.603 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.3 p -60.02 -39.52 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 120.591 -1.318 . . . . 0.0 110.771 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.85 -39.95 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.497 -1.377 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.98 -56.31 12.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.787 -1.196 . . . . 0.0 112.438 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 5.1 m -75.2 -21.77 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.174 -0.954 . . . . 0.0 111.566 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.55 -48.3 67.37 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.667 -1.27 . . . . 0.0 109.148 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.66 75.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.316 -0.865 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.85 -55.13 33.08 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.913 -1.117 . . . . 0.0 110.758 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.477 HG21 ' SD ' ' B' ' 8' ' ' MET . 94.3 m -64.58 -39.99 94.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.946 -1.096 . . . . 0.0 111.749 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.2 t -60.01 -41.57 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.946 -1.096 . . . . 0.0 109.564 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.97 84.45 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.423 -0.798 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.03 -39.93 87.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.861 . . . . 0.0 109.795 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.973 . . . . 0.0 110.406 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -59.93 -40.2 88.07 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.932 -1.105 . . . . 0.0 108.851 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.27 -39.9 92.09 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.838 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.274 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 6' ' ' THR . 14.7 m . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 3' ' ' GLU . 65.5 mt-10 -60.09 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.97 -39.7 72.38 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.94 -39.97 93.93 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.444 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.0 m -64.53 -22.41 66.96 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.65 -38.67 84.16 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 109.425 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.477 ' SD ' HG21 ' A' ' 82' ' ' THR . 61.7 mtm -78.23 -34.33 49.3 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.922 -1.111 . . . . 0.0 110.679 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 6.0 pt-20 -70.62 -32.89 70.39 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.965 -1.084 . . . . 0.0 110.584 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.66 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 13.0 t -77.52 -44.99 26.88 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.285 -0.884 . . . . 0.0 111.834 -177.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -70.99 -28.26 64.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.279 -1.513 . . . . 0.0 108.859 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.5 -37.44 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.099 -1.0 . . . . 0.0 109.815 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.5 m120 -70.03 -40.0 75.44 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.276 -0.89 . . . . 0.0 110.214 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -31.99 43.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.1 t80 -63.03 -39.97 96.33 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.19 -9.13 55.96 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.66 -40.08 50.18 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.081 -1.012 . . . . 0.0 109.606 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -103.85 -40.04 6.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -66.09 -23.59 66.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.024 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.31 -7.33 67.62 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -71.34 -31.36 67.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 24' ' ' ASP . 99.2 mt-10 -94.42 112.33 24.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . -30.74 -32.05 0.01 OUTLIER Glycine 0 N--CA 1.504 3.168 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' GLU . 89.9 m-20 -71.63 48.15 0.14 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.658 -1.495 . . . . 0.0 107.671 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.6 mtmm -62.06 6.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.907 -0.495 . . . . 0.0 110.92 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' B' ' 24' ' ' ASP . 79.0 m-85 -86.94 -10.13 53.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.5 -1.375 . . . . 0.0 109.823 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -161.07 160.83 30.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.818 -1.176 . . . . 0.0 110.647 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' B' ' 29' ' ' SER . 46.7 tp -82.89 166.27 19.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 35.5 t -137.28 164.12 29.31 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.946 -1.096 . . . . 0.0 109.744 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -69.96 -35.67 74.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.851 -1.155 . . . . 0.0 110.099 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 29' ' ' SER . 73.4 mt-10 -63.41 -49.9 71.94 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.678 -0.639 . . . . 0.0 111.373 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.3 pp -66.77 -29.49 69.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.216 -0.928 . . . . 0.0 110.165 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 29.0 tptp -61.09 -40.04 92.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 109.323 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' HG23 ' B' ' 39' ' ' THR . 46.1 t0 -68.7 -39.83 80.3 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.382 0.611 . . . . 0.0 110.906 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.35 -40.03 89.57 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.346 -0.846 . . . . 0.0 111.476 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' B' ' 47' ' ' VAL . 29.5 mt -74.37 -44.25 53.02 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.985 -1.072 . . . . 0.0 111.302 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 13.6 pt20 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.448 -0.783 . . . . 0.0 109.463 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.567 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -81.64 -57.06 3.62 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.225 -0.922 . . . . 0.0 112.192 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' B' ' 41' ' ' LEU . 6.2 mt-10 -112.17 -26.09 8.99 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.003 -1.06 . . . . 0.0 113.052 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 4' ' ' LEU . 7.0 mp -109.98 23.81 13.85 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.044 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.8 p -60.1 -40.2 88.81 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.173 -0.955 . . . . 0.0 111.045 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -70.91 -41.24 71.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.893 -1.13 . . . . 0.0 111.454 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -78.24 -70.0 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 110.419 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.76 96.52 8.21 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 15.4 p-10 -59.46 97.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.129 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.519 HG11 ' HB3' ' B' ' 37' ' ' LEU . 1.2 p -111.21 -16.56 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.701 -0.625 . . . . 0.0 109.634 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.02 -60.25 2.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.936 -1.102 . . . . 0.0 112.358 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.06 -45.81 91.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.884 -1.126 . . . . 0.0 110.101 -177.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.3 m-20 -99.76 78.25 2.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.476 -1.39 . . . . 0.0 109.7 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.573 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.38 -19.93 17.04 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -73.14 -24.21 60.57 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.26 -35.26 80.49 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.573 HG12 ' O ' ' B' ' 51' ' ' ALA . 5.3 p -77.52 -26.76 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.042 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -69.99 -37.26 75.67 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.747 -1.221 . . . . 0.0 108.119 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -69.85 -39.92 76.1 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.057 0.932 . . . . 0.0 109.428 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -37.38 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.594 0.711 . . . . 0.0 109.285 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 10.3 mmm -75.61 -32.87 60.47 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.735 0.778 . . . . 0.0 110.369 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -67.35 -40.0 85.78 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 122.458 1.123 . . . . 0.0 110.008 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.72 -40.12 96.19 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.941 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.668 HD23 ' H ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -103.95 -28.55 11.49 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.023 -1.048 . . . . 0.0 110.68 -178.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.668 ' H ' HD23 ' B' ' 61' ' ' LEU . 24.7 t0 -84.19 31.97 0.5 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.8 tt0 -49.73 -19.33 0.61 Allowed 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' B' ' 62' ' ' ASP . 1.1 t-20 -72.64 -12.32 61.0 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.76 38.05 94.04 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 68' ' ' GLU . 1.7 m-20 -93.08 -9.9 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.045 -1.268 . . . . 0.0 110.041 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.43 1.31 10.24 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 106.625 -2.59 . . . . 0.0 106.625 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.3 mt-10 -130.17 146.26 51.79 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.525 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 16.5 t -115.71 136.87 51.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.7 m-20 -72.11 16.62 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.559 -0.713 . . . . 0.0 109.6 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 68.7 t80 62.66 -48.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 122.02 -0.425 . . . . 0.0 110.649 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' B' ' 70' ' ' ASP . 64.1 tt0 -60.08 -38.32 82.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.665 -1.272 . . . . 0.0 107.796 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.629 ' C ' HD12 ' B' ' 61' ' ' LEU . 94.7 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 79.5 t80 -62.43 -45.22 94.07 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.589 -0.695 . . . . 0.0 112.784 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.2 p -59.95 -39.95 81.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 120.6 -1.312 . . . . 0.0 110.656 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.26 -39.92 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.626 -1.296 . . . . 0.0 111.204 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.53 -56.21 11.93 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.819 -1.176 . . . . 0.0 112.454 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 4.5 m -75.23 -21.73 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.221 -0.924 . . . . 0.0 111.618 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.31 -48.47 67.5 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.594 -1.316 . . . . 0.0 109.126 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.47 75.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.242 -0.911 . . . . 0.0 110.947 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.486 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.4 OUTLIER -61.97 -55.22 31.66 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.876 -1.14 . . . . 0.0 110.773 -178.18 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.465 HG21 ' SD ' ' A' ' 8' ' ' MET . 94.4 m -64.55 -39.97 94.73 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.953 -1.092 . . . . 0.0 111.695 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.03 -41.66 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.871 -1.143 . . . . 0.0 109.634 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.92 83.94 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 109.617 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 m -59.88 -40.05 87.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.242 -0.911 . . . . 0.0 109.757 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.99 87.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.071 -1.018 . . . . 0.0 110.483 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -59.99 -40.14 88.12 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.961 -1.087 . . . . 0.0 108.888 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -61.09 -40.0 92.04 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.454 -0.899 . . . . 0.0 109.865 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.346 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 18.5 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.367 0.603 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -102.45 -58.64 1.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.479 -0.763 . . . . 0.0 112.371 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.3 tt -59.99 -39.98 87.59 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -62.82 -39.97 95.95 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.986 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -23.25 66.01 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.89 -37.58 81.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.578 -0.701 . . . . 0.0 110.235 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -81.28 -33.54 32.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.714 -1.241 . . . . 0.0 110.388 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -29.99 66.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.115 -0.991 . . . . 0.0 109.986 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.577 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 10.3 t -80.01 -52.05 8.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.136 -0.978 . . . . 0.0 111.174 -178.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 10' ' ' THR . 1.1 pp -61.22 -28.52 69.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.326 -1.484 . . . . 0.0 109.398 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.28 -36.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.763 -1.21 . . . . 0.0 110.147 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -69.76 -45.38 68.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.448 -0.783 . . . . 0.0 110.854 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -70.25 -30.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.3 t80 -62.82 -40.03 96.15 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -87.13 -9.3 55.65 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -77.13 -38.77 51.34 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.416 -0.803 . . . . 0.0 109.366 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -105.37 -20.61 13.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.385 -0.822 . . . . 0.0 111.311 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.8 m -70.06 -23.02 63.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.09 -1.006 . . . . 0.0 111.556 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.72 2.61 32.13 Favored Glycine 0 N--CA 1.501 2.995 0 O-C-N 121.092 -1.005 . . . . 0.0 111.127 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 17' ' ' ALA . 46.3 mtpt -87.8 -15.91 35.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.865 -1.374 . . . . 0.0 110.386 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -99.48 -5.07 29.97 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.222 -0.924 . . . . 0.0 110.344 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 98.27 -35.63 4.47 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -71.6 63.97 0.43 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.3 ttpp -80.0 -10.3 59.76 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.191 -178.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -78.2 -8.5 58.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.252 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -176.09 -179.95 1.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 109.534 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 33' ' ' LEU . 40.6 tp -83.92 165.14 18.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.37 -0.831 . . . . 0.0 109.28 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.422 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 8.6 p -134.46 166.95 21.67 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.908 -1.12 . . . . 0.0 109.829 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.93 -40.02 87.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.22 -0.925 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -76.77 -33.9 58.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.379 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 29' ' ' SER . 94.2 mt-10 -62.39 -44.23 96.94 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.587 -0.695 . . . . 0.0 110.918 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -69.93 -28.64 65.75 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -60.04 -40.0 87.87 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 109.118 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 39' ' ' THR . 95.5 m-20 -71.0 -40.0 72.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.83 -1.169 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.95 -41.91 92.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.968 -1.082 . . . . 0.0 110.875 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.4 mt -77.51 -40.06 44.1 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.734 -1.229 . . . . 0.0 110.333 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 48' ' ' GLN . 97.8 mt-30 -70.06 -20.0 63.25 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.0 109.077 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.2 p -80.05 -57.44 3.63 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.123 -0.986 . . . . 0.0 110.705 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 22.8 mm-40 -109.98 -29.14 8.38 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.963 -1.085 . . . . 0.0 112.609 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.59 25.79 11.4 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 120.844 -1.16 . . . . 0.0 110.821 -177.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.2 p -60.02 -56.67 18.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.808 -1.182 . . . . 0.0 111.721 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 42' ' ' SER . 74.1 m -66.41 -40.01 89.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.227 -0.92 . . . . 0.0 112.361 -177.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -74.55 -65.4 0.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.576 -1.328 . . . . 0.0 110.783 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -83.03 98.12 9.11 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 29.2 t0 -51.95 123.15 9.71 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.137 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.33 -29.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.382 -0.824 . . . . 0.0 109.692 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.433 ' HA ' HE21 ' A' ' 38' ' ' GLN . 2.1 pt20 -81.67 -57.19 3.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.369 -0.832 . . . . 0.0 111.215 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -60.24 -39.83 88.08 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.89 -1.131 . . . . 0.0 110.151 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -105.03 81.22 1.7 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.823 -1.173 . . . . 0.0 109.39 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.71 -23.16 64.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 108.568 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -68.69 -24.46 64.5 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.84 73.94 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -77.57 -30.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.989 -1.07 . . . . 0.0 109.235 179.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -66.54 -40.08 88.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.932 -1.105 . . . . 0.0 108.756 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.35 -40.03 74.3 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.998 0.904 . . . . 0.0 111.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.661 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.18 -40.12 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.037 -177.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.11 -25.1 34.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 110.088 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.95 -42.3 93.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.881 -1.137 . . . . 0.0 109.374 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -59.95 -38.11 81.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 3.7 mp -74.91 -62.77 1.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.384 0.612 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' C ' ' N ' ' A' ' 64' ' ' ASN . 90.7 m-20 -78.63 40.92 0.39 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 61' ' ' LEU . 84.0 tt0 -52.48 -16.83 0.99 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.469 ' N ' ' C ' ' A' ' 62' ' ' ASP . 91.0 m-20 -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.15 30.06 69.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLU . 25.7 p-10 -90.03 -0.84 57.8 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.153 -1.204 . . . . 0.0 109.845 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.33 10.05 0.3 Allowed Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ASP . 42.5 mt-10 -132.52 131.31 41.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.501 -0.999 . . . . 0.0 108.935 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 71' ' ' PHE . 21.2 t -99.1 140.38 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.447 -0.783 . . . . 0.0 110.224 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' GLN . 71.4 m-20 -75.88 19.16 0.22 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.395 -0.815 . . . . 0.0 109.439 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 90.2 t80 63.68 -48.47 0.25 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 122.083 -0.385 . . . . 0.0 111.919 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.8 mt-30 -59.9 -39.72 86.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.426 -1.421 . . . . 0.0 108.715 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.78 -39.56 85.32 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.726 ' O ' HG22 ' A' ' 78' ' ' VAL . 75.0 t80 -63.48 -44.86 93.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.84 -40.05 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.42 -1.425 . . . . 0.0 110.566 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -71.75 -36.65 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.448 -1.407 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.661 HD21 HG13 ' A' ' 57' ' ' ILE . 31.7 tp -61.53 -56.45 19.88 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.88 -1.138 . . . . 0.0 111.909 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.6 m -77.46 -22.3 14.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.871 -0.518 . . . . 0.0 111.251 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.04 -48.01 59.7 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.134 -1.027 . . . . 0.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.99 75.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.18 -0.95 . . . . 0.0 111.204 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.28 -48.81 78.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.697 -1.252 . . . . 0.0 110.307 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.25 -40.06 92.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.999 -1.063 . . . . 0.0 110.714 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -60.19 -45.23 96.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.137 -0.977 . . . . 0.0 110.358 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.82 95.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.585 -0.697 . . . . 0.0 111.455 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.5 p -60.63 -39.98 90.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 0.0 109.508 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 11.5 t-20 -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.384 -0.823 . . . . 0.0 110.444 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -67.77 -38.28 83.19 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.115 -0.991 . . . . 0.0 110.189 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.75 -26.96 64.56 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.294 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.301 -1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.17 -179.636 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.435 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 18.4 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.447 0.641 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.24 -58.49 1.87 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.439 -0.788 . . . . 0.0 112.442 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.3 tt -60.01 -40.03 87.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -62.93 -40.01 96.31 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.82 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.1 m -61.87 -22.98 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.9 mmt -81.14 -34.07 32.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.751 -1.218 . . . . 0.0 110.422 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -30.14 67.28 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.083 -1.011 . . . . 0.0 110.124 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 10.1 t -79.81 -52.25 8.14 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.164 -0.96 . . . . 0.0 111.247 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.542 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -60.86 -28.86 69.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.251 -1.531 . . . . 0.0 109.431 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.96 -36.6 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.775 -1.203 . . . . 0.0 110.24 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -70.13 -45.05 67.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.209 -0.932 . . . . 0.0 110.986 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.09 -30.86 45.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.3 t80 -62.97 -40.08 96.65 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -87.02 -9.52 55.35 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 21' ' ' LYS . . . -76.89 -38.69 53.1 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -105.47 -20.56 13.44 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.378 -0.826 . . . . 0.0 111.327 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 75.6 m -70.15 -22.88 62.93 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.125 -0.984 . . . . 0.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.07 3.08 31.51 Favored Glycine 0 N--CA 1.502 3.079 0 O-C-N 120.981 -1.075 . . . . 0.0 111.147 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' B' ' 17' ' ' ALA . 45.5 mtpt -88.14 -15.53 35.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.812 -1.405 . . . . 0.0 110.251 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -99.89 -5.01 29.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 98.45 -36.0 4.26 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -71.45 63.95 0.4 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' B' ' 23' ' ' GLY . 9.9 ttpp -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.305 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.63 -8.83 59.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.952 -1.093 . . . . 0.0 109.197 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -175.91 179.71 1.29 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.511 -0.743 . . . . 0.0 109.498 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.8 tp -83.34 165.05 19.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.347 -0.846 . . . . 0.0 109.344 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 10.0 p -133.78 167.19 20.99 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.95 -1.094 . . . . 0.0 109.766 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.93 -40.04 87.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.285 -0.884 . . . . 0.0 111.269 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.89 -33.62 57.79 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.723 -1.236 . . . . 0.0 110.227 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 29' ' ' SER . 93.9 mt-10 -62.81 -44.06 97.15 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.549 -0.719 . . . . 0.0 110.822 -178.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.562 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.91 -28.68 65.81 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.335 -0.853 . . . . 0.0 110.05 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -59.96 -39.93 87.31 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 95.8 m-20 -70.97 -39.92 72.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.907 -1.12 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.14 -41.94 93.8 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.985 -1.072 . . . . 0.0 110.851 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.5 mt -77.34 -40.18 45.0 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.682 -1.261 . . . . 0.0 110.358 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' B' ' 48' ' ' GLN . 97.9 mt-30 -70.11 -20.17 63.2 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.53 -0.731 . . . . 0.0 109.096 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.75 -57.66 3.56 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.755 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.464 ' C ' HD12 ' B' ' 41' ' ' LEU . 22.0 mm-40 -109.93 -29.11 8.41 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 112.617 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.5 mp -110.49 25.87 11.3 Favored 'General case' 0 N--CA 1.517 2.917 0 O-C-N 120.857 -1.152 . . . . 0.0 110.845 -177.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' B' ' 43' ' ' SER . 4.3 p -59.92 -57.01 14.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.784 -1.197 . . . . 0.0 111.764 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.51 ' N ' ' OG ' ' B' ' 42' ' ' SER . 69.9 m -66.31 -40.06 89.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 112.28 -177.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.51 -65.84 0.81 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.757 -1.215 . . . . 0.0 110.618 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.86 98.6 9.25 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' B' ' 46' ' ' ASP . 28.0 t0 -52.54 123.04 10.06 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.14 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.21 -30.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.399 -0.813 . . . . 0.0 109.723 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.446 ' HA ' HE21 ' B' ' 38' ' ' GLN . 2.2 pt20 -81.15 -57.25 3.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.324 -0.86 . . . . 0.0 111.207 -178.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -60.22 -39.99 88.59 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.95 -1.093 . . . . 0.0 110.142 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -105.02 81.62 1.76 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.862 -1.149 . . . . 0.0 109.362 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.83 -23.41 65.08 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 108.466 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -68.44 -25.1 64.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.92 76.78 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 51' ' ' ALA . 1.0 OUTLIER -77.05 -29.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.939 -1.101 . . . . 0.0 109.379 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.65 -40.02 88.5 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.933 -1.104 . . . . 0.0 108.769 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.35 -40.01 74.34 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.873 0.844 . . . . 0.0 111.29 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.678 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -65.59 -40.0 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.813 -0.554 . . . . 0.0 110.101 -177.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.1 -25.08 34.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.765 -1.209 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.94 -42.3 93.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 109.185 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.05 -38.51 82.99 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -74.48 -62.82 1.39 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.426 0.632 . . . . 0.0 110.614 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' B' ' 64' ' ' ASN . 91.3 m-20 -78.17 40.88 0.35 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.412 -0.805 . . . . 0.0 108.88 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 83.5 tt0 -52.46 -16.78 0.97 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' B' ' 62' ' ' ASP . 90.7 m-20 -86.37 -3.53 59.01 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.636 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.01 70.09 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' B' ' 68' ' ' GLU . 25.4 p-10 -89.98 -0.99 57.89 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.088 -1.242 . . . . 0.0 109.759 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.52 10.01 0.32 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 66' ' ' ASP . 41.8 mt-10 -132.59 131.31 41.33 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.473 -1.016 . . . . 0.0 108.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -99.18 140.13 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.515 -0.741 . . . . 0.0 110.298 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' B' ' 72' ' ' GLN . 72.3 m-20 -75.59 19.12 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.518 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 89.3 t80 63.9 -48.71 0.27 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 122.079 -0.388 . . . . 0.0 111.886 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-30 -60.08 -39.3 85.63 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.395 -1.44 . . . . 0.0 108.747 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 57.7 mt-10 -59.97 -39.6 86.2 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.736 ' O ' HG22 ' B' ' 78' ' ' VAL . 75.1 t80 -63.62 -44.69 93.18 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.04 -40.04 82.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 120.233 -1.542 . . . . 0.0 110.434 -176.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.411 HG22 ' H ' ' B' ' 76' ' ' VAL . 11.4 m -71.23 -37.48 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.588 -1.32 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.678 HD21 HG13 ' B' ' 57' ' ' ILE . 30.9 tp -61.06 -56.21 23.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.914 -1.116 . . . . 0.0 112.177 -177.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.736 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -77.6 -22.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.829 -0.545 . . . . 0.0 111.137 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.95 -48.72 57.25 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.179 -1.009 . . . . 0.0 109.86 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.95 77.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 111.129 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.33 -48.59 79.14 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.823 -1.173 . . . . 0.0 110.462 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.69 -40.02 93.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.036 -1.04 . . . . 0.0 110.446 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.0 -45.09 95.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.237 -0.914 . . . . 0.0 110.203 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.89 95.39 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.444 -0.785 . . . . 0.0 111.705 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.6 p -60.69 -39.88 90.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.727 -1.233 . . . . 0.0 109.428 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 11.5 t-20 -60.04 -40.04 88.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.413 -0.804 . . . . 0.0 110.357 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -67.42 -38.65 84.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 110.244 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.63 -26.77 64.58 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.366 -0.834 . . . . 0.0 110.339 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.301 -1.535 0 O-C-N 121.128 -0.982 . . . . 0.0 109.173 -179.581 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.743 0.782 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.53 -58.07 1.94 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.759 -0.588 . . . . 0.0 112.209 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 61.3 tp -60.25 -40.47 90.42 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.845 -1.159 . . . . 0.0 109.021 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.62 -38.64 91.87 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.048 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 10' ' ' THR . 18.0 m -62.01 -21.31 64.77 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -69.49 -35.96 76.05 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.418 -0.801 . . . . 0.0 109.772 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.515 ' SD ' HD21 ' B' ' 41' ' ' LEU . 37.6 mtp -75.46 -39.9 58.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.949 -1.095 . . . . 0.0 110.402 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.13 -35.76 78.63 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.376 0.607 . . . . 0.0 111.318 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.3 t -73.57 -47.49 40.2 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.319 -0.863 . . . . 0.0 111.614 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' THR . 2.4 pp -72.09 -26.88 62.32 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.236 -1.54 . . . . 0.0 110.429 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.98 -36.02 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.689 -1.257 . . . . 0.0 110.227 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.86 -40.73 65.44 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -33.71 57.59 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.02 -42.59 94.67 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -84.96 -9.38 58.13 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.37 27.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 110.642 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 50.7 t60 -111.55 -37.69 5.14 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.327 -0.858 . . . . 0.0 110.827 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.1 m -52.87 -30.16 32.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.164 -0.96 . . . . 0.0 110.234 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.04 12.32 52.47 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -89.39 -20.04 24.46 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.492 -1.005 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -110.55 -6.1 14.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 111.425 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.85 23.01 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.8 m-20 50.22 40.17 21.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.776 -1.426 . . . . 0.0 108.134 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -71.42 -6.85 43.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.565 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -78.74 -10.06 59.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.7 ttmp? -158.52 160.01 36.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 29' ' ' SER . 55.5 tp -80.33 167.61 20.03 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 66.5 m -135.87 161.62 35.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.796 -1.19 . . . . 0.0 109.973 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.78 -39.76 85.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.291 -0.881 . . . . 0.0 110.013 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -70.72 -36.59 73.29 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.039 -1.038 . . . . 0.0 110.581 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 19' ' ' SER . 6.9 mm-40 -60.44 -50.11 74.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.285 -0.884 . . . . 0.0 111.263 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -68.22 -25.58 65.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.895 -1.128 . . . . 0.0 110.487 -179.023 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 tptp -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 0.0 109.601 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 39' ' ' THR . 23.6 t0 -73.02 -40.08 65.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.801 -1.187 . . . . 0.0 110.485 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.22 -40.96 95.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.246 -0.909 . . . . 0.0 111.132 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 45' ' ' LEU . 22.0 mt -75.61 -40.79 55.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.042 -1.036 . . . . 0.0 110.073 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -69.93 -20.45 63.35 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' ASP . 11.7 p -83.93 -57.48 3.18 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.329 -0.857 . . . . 0.0 112.47 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 41' ' ' LEU . 15.1 mt-10 -111.02 -28.8 8.16 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.775 -1.203 . . . . 0.0 112.753 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' B' ' 8' ' ' MET . 11.1 mp -108.46 23.15 14.94 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.965 -1.084 . . . . 0.0 110.323 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' LEU . 82.1 p -60.29 -40.46 90.56 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 110.329 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.5 t -70.02 -45.22 67.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 111.467 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.15 -67.91 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.902 -1.123 . . . . 0.0 110.042 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 37' ' ' LEU . 81.4 mt -81.23 95.66 7.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.16 89.97 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.453 -0.779 . . . . 0.0 109.924 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' A' ' 37' ' ' LEU . 2.1 p -105.06 -16.21 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.0 -69.86 0.56 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.116 -0.99 . . . . 0.0 112.318 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.58 -50.12 72.87 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.066 -1.021 . . . . 0.0 110.458 -176.731 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 98.2 m-20 -93.99 76.59 4.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.154 -1.592 . . . . 0.0 109.665 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.28 -22.07 27.87 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -67.63 -27.66 67.07 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -60.8 -31.84 71.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.0 -26.3 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.928 . . . . 0.0 109.748 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -71.15 -40.08 71.56 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 120.787 -1.196 . . . . 0.0 108.26 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -68.67 -39.88 80.42 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.048 0.927 . . . . 0.0 110.055 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.82 78.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.5 mmm -72.69 -30.98 64.69 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.811 0.815 . . . . 0.0 109.822 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -59.9 -44.31 94.34 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.532 0.682 . . . . 0.0 109.704 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -69.94 -39.86 75.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 109.306 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 6.5 mp -67.72 -83.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.644 0.735 . . . . 0.0 109.652 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 37.9 t0 -75.17 55.75 0.76 Allowed 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.22 -13.11 1.15 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.272 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 66.2 t30 -77.32 -14.28 59.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.524 -0.735 . . . . 0.0 109.521 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.16 30.93 71.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 14.9 p30 -91.21 -2.56 57.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.992 -1.299 . . . . 0.0 110.338 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 69.86 1.82 34.24 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -128.38 141.71 51.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.471 -1.017 . . . . 0.0 108.426 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.6 t -109.77 139.82 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 CA-C-O 121.724 0.773 . . . . 0.0 110.456 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.8 t70 -81.01 25.14 0.47 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.607 -0.683 . . . . 0.0 109.636 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 12.4 p90 55.05 -46.61 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 122.73 0.412 . . . . 0.0 112.058 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.614 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.0 tt0 -59.83 -37.24 78.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.215 -1.553 . . . . 0.0 108.058 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 37.2 mt-10 -60.13 -40.01 88.26 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 109.187 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.1 t80 -66.93 -49.5 65.35 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.2 -40.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.491 -1.381 . . . . 0.0 111.27 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' B' ' 76' ' ' VAL . 55.3 t -65.61 -40.12 87.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.705 -1.247 . . . . 0.0 112.292 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' CB ' HD11 ' A' ' 61' ' ' LEU . 2.0 tm? -69.14 -57.75 4.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.839 -1.163 . . . . 0.0 112.204 -176.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.7 m -72.36 -23.99 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.162 -0.961 . . . . 0.0 111.835 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.63 60.5 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.842 -1.161 . . . . 0.0 109.514 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.97 95.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.394 -0.816 . . . . 0.0 110.988 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 60.4 tp -61.02 -40.13 92.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.8 -1.188 . . . . 0.0 110.298 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 23.2 p -64.66 -47.11 79.65 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.135 -0.978 . . . . 0.0 112.976 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.9 -43.67 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.395 -1.441 . . . . 0.0 109.859 -178.506 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -28.95 68.33 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.365 -0.834 . . . . 0.0 108.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 64.1 m -68.56 -40.14 80.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.327 -0.858 . . . . 0.0 109.549 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 82' ' ' THR . 65.1 m-80 -61.16 -39.83 91.57 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.624 -0.672 . . . . 0.0 110.654 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 46.5 t-20 -74.52 -27.22 60.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.051 -1.031 . . . . 0.0 109.409 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.89 -41.86 92.53 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.245 -0.909 . . . . 0.0 109.267 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.179 178.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.711 0.767 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.423 ' C ' ' HG1' ' A' ' 10' ' ' THR . 16.8 mt-10 -102.74 -58.03 1.95 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.727 -0.608 . . . . 0.0 112.37 -177.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 59.5 tp -60.37 -40.22 90.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.98 -1.075 . . . . 0.0 109.144 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -38.32 90.64 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.702 -1.199 . . . . 0.0 107.944 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.452 ' O ' HG22 ' B' ' 10' ' ' THR . 18.5 m -62.33 -21.23 65.12 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.31 -36.1 76.64 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.877 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 37.9 mtp -75.26 -39.97 59.31 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.078 -1.014 . . . . 0.0 110.36 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.43 -35.05 77.07 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.334 0.588 . . . . 0.0 111.269 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.0 t -74.11 -47.57 35.34 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.241 -0.912 . . . . 0.0 111.606 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 10' ' ' THR . 2.3 pp -71.87 -27.11 62.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.358 -1.464 . . . . 0.0 110.343 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.96 -35.66 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.625 -1.297 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -73.58 -40.13 64.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 109.491 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -33.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.22 -42.52 95.36 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -85.51 -8.76 58.15 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.89 -32.68 27.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.415 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 52.9 t60 -111.8 -37.02 5.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.35 -0.844 . . . . 0.0 110.773 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.417 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.8 m -53.18 -30.3 36.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.984 . . . . 0.0 110.188 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.16 13.07 52.23 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -89.87 -20.1 23.82 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.44 -1.035 . . . . 0.0 109.185 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -110.64 -6.09 14.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.611 -0.681 . . . . 0.0 111.415 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.74 22.92 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.453 -2.259 . . . . 0.0 107.453 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.4 m-20 50.08 40.42 21.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.772 -1.428 . . . . 0.0 108.212 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -71.77 -6.76 43.75 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -78.82 -9.99 59.64 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.7 ttmp? -158.41 160.03 36.41 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' B' ' 29' ' ' SER . 55.5 tp -80.23 167.13 20.69 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.756 -1.215 . . . . 0.0 107.729 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 73.4 m -135.84 161.44 35.59 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.742 -1.224 . . . . 0.0 109.984 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -59.93 -39.51 85.76 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.329 -0.857 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -70.61 -36.53 73.56 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.029 -1.044 . . . . 0.0 110.466 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 19' ' ' SER . 6.7 mm-40 -60.53 -50.47 73.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 111.276 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -67.84 -25.58 65.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.863 -1.148 . . . . 0.0 110.558 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.2 tptp -60.26 -40.32 89.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.982 -1.074 . . . . 0.0 109.492 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 22.2 t0 -72.46 -39.81 67.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.837 -1.165 . . . . 0.0 110.765 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.85 -40.73 96.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.112 -0.992 . . . . 0.0 111.02 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' B' ' 45' ' ' LEU . 22.5 mt -75.82 -40.87 54.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.981 -1.074 . . . . 0.0 110.19 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -69.95 -20.08 63.34 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 11.2 p -84.28 -57.36 3.2 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 112.373 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.468 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.9 mt-10 -110.97 -29.1 8.05 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.899 -1.125 . . . . 0.0 112.727 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.515 HD21 ' SD ' ' A' ' 8' ' ' MET . 11.0 mp -108.44 23.38 14.6 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.916 -1.115 . . . . 0.0 110.408 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 79.3 p -60.36 -40.14 89.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.227 -0.921 . . . . 0.0 110.335 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -70.22 -45.26 66.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 111.393 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.39 -67.94 0.64 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.952 -1.092 . . . . 0.0 109.997 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' B' ' 37' ' ' LEU . 79.3 mt -81.04 95.44 6.83 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.24 90.54 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.444 -0.785 . . . . 0.0 109.697 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' B' ' 37' ' ' LEU . 1.9 p -105.53 -16.08 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -80.19 -69.86 0.56 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.064 -1.022 . . . . 0.0 112.122 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.467 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.31 -50.66 70.79 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.429 -176.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 53' ' ' ALA . 97.8 m-20 -93.76 76.99 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.303 -1.498 . . . . 0.0 109.75 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.79 -21.94 32.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.96 -27.31 66.49 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.06 -31.77 71.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.21 -25.85 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.912 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -71.11 -40.08 71.7 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.896 -1.128 . . . . 0.0 108.296 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -68.97 -40.12 79.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.229 1.014 . . . . 0.0 110.008 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -37.03 79.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 72.2 mmm -72.57 -31.1 64.98 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.806 0.812 . . . . 0.0 109.824 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -59.7 -44.49 93.65 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.399 0.619 . . . . 0.0 109.61 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.8 -40.02 76.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.418 -0.801 . . . . 0.0 109.468 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 6.5 mp -67.47 -83.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.711 . . . . 0.0 109.736 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 36.4 t0 -75.04 55.76 0.73 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.13 -13.11 1.09 Allowed 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.292 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' B' ' 62' ' ' ASP . 66.0 t30 -77.16 -14.56 59.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.524 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.33 30.69 71.39 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 15.1 p30 -90.91 -2.71 57.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.22 -1.165 . . . . 0.0 110.215 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.542 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 69.72 2.21 35.36 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -128.86 141.41 51.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.477 -1.014 . . . . 0.0 108.375 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -109.72 139.86 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.718 0.77 . . . . 0.0 110.472 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 72' ' ' GLN . 7.8 t70 -81.01 25.35 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.698 -0.626 . . . . 0.0 109.595 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 13.4 p90 54.83 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.623 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 64.0 tt0 -59.95 -37.1 78.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.175 -1.578 . . . . 0.0 107.893 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 35.6 mt-10 -60.1 -39.9 87.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.513 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.3 t80 -66.58 -50.0 64.5 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 3.6 p -59.24 -40.13 80.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.654 -1.279 . . . . 0.0 111.168 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 76' ' ' VAL . 54.6 t -65.16 -40.32 88.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 120.951 -1.093 . . . . 0.0 112.052 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD11 ' B' ' 61' ' ' LEU . 2.0 tm? -69.23 -57.79 4.89 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.797 -1.189 . . . . 0.0 112.329 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.513 HG22 ' O ' ' B' ' 74' ' ' PHE . 6.6 m -72.6 -23.72 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.176 -0.953 . . . . 0.0 111.611 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.09 -50.9 60.03 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.827 -1.171 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.02 96.0 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.304 -0.873 . . . . 0.0 111.111 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 61.7 tp -61.24 -39.85 91.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.896 -1.128 . . . . 0.0 110.278 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.3 p -64.37 -48.67 74.57 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.201 -0.937 . . . . 0.0 112.93 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -43.89 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.502 -1.374 . . . . 0.0 109.925 -178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.78 68.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.344 -0.847 . . . . 0.0 108.948 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 63.7 m -68.71 -40.23 80.09 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.547 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -60.67 -40.26 91.43 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.542 -0.724 . . . . 0.0 110.495 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 46.8 t-20 -74.57 -27.01 60.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.925 -1.109 . . . . 0.0 109.405 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.88 -41.72 92.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.234 -0.916 . . . . 0.0 109.351 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 C--N 1.302 -1.466 0 O-C-N 121.199 -0.938 . . . . 0.0 109.14 178.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.861 0 N-CA-C 119.687 2.635 . . . . 0.0 119.687 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 t -105.76 16.56 25.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.404 -1.057 . . . . 0.0 109.144 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 44.0 mt-10 -60.82 -46.75 89.3 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.334 -0.854 . . . . 0.0 109.664 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -74.4 -40.07 62.27 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.25 -40.04 93.47 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 2' ' ' SER . 19.8 m -63.27 -22.0 66.59 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -70.02 -35.8 74.59 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.012 0.911 . . . . 0.0 109.505 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ttt -77.5 -37.22 51.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.438 -0.789 . . . . 0.0 110.288 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.98 -36.1 74.94 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.518 -0.739 . . . . 0.0 110.915 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.3 t -71.86 -54.21 10.82 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 111.412 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 10' ' ' THR . 0.9 OUTLIER -60.03 -29.04 68.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.257 -1.527 . . . . 0.0 109.556 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.93 -34.28 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.587 -1.321 . . . . 0.0 110.456 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.47 -46.7 53.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.114 -0.991 . . . . 0.0 110.844 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 15' ' ' PHE . 32.7 m -66.08 -32.89 60.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.599 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 56.0 t80 -61.04 -40.03 92.05 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -89.36 -4.55 58.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.99 -38.88 24.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.251 -0.905 . . . . 0.0 109.251 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 89.2 m-70 -102.32 -34.71 9.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.392 -0.817 . . . . 0.0 110.48 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.6 t -61.25 -40.0 92.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.12 -0.988 . . . . 0.0 110.645 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.07 86.12 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -80.46 -20.38 43.88 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.412 -1.052 . . . . 0.0 109.417 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -94.35 -6.57 43.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.714 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 96.0 -38.86 2.97 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.71 70.04 0.93 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' GLY . 27.3 ttmt -79.51 -11.89 59.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.813 -0.554 . . . . 0.0 110.292 -177.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -92.2 -15.36 27.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.056 -1.027 . . . . 0.0 109.972 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.94 145.6 31.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.068 -1.02 . . . . 0.0 109.154 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.47 166.86 18.98 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.9 t -137.05 167.56 21.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.966 -1.083 . . . . 0.0 110.257 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.14 84.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 111.461 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -75.73 -32.95 60.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.659 -1.276 . . . . 0.0 111.04 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 29' ' ' SER . 61.8 mt-10 -61.61 -49.96 74.51 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.068 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -65.17 -31.38 72.54 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.386 -0.821 . . . . 0.0 110.4 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -59.96 -39.96 87.37 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 108.823 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 19.5 t70 -68.58 -40.39 80.55 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.587 0.708 . . . . 0.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.64 -41.23 98.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.989 -1.069 . . . . 0.0 112.014 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -78.98 -41.75 28.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.674 -1.266 . . . . 0.0 111.493 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.35 -19.82 63.02 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.547 -0.72 . . . . 0.0 109.506 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -76.35 -57.96 3.56 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.139 -0.976 . . . . 0.0 111.439 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 7.6 mt-10 -110.97 -28.09 8.5 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.022 -1.048 . . . . 0.0 112.446 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -108.5 28.15 8.66 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.935 -1.103 . . . . 0.0 110.755 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -60.03 -50.3 74.26 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.935 -1.103 . . . . 0.0 110.957 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.9 m -63.84 -39.96 95.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.205 -0.935 . . . . 0.0 111.809 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -76.98 -69.22 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.793 -1.192 . . . . 0.0 110.331 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.42 98.26 9.4 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -57.68 139.35 53.96 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.2 p -163.53 -52.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.885 -1.135 . . . . 0.0 110.065 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.519 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.8 pt20 -61.29 -41.91 97.75 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.83 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -71.88 -39.92 69.29 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.831 -1.168 . . . . 0.0 109.354 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -103.22 83.95 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.192 -0.942 . . . . 0.0 109.227 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.742 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.99 -24.12 64.2 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.907 -1.121 . . . . 0.0 108.726 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.03 -28.93 67.0 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.28 75.15 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.889 -0.507 . . . . 0.0 109.799 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 51' ' ' ALA . 10.4 p -75.83 -29.0 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.878 -1.139 . . . . 0.0 110.326 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -68.92 -42.04 77.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.794 1.283 . . . . 0.0 108.698 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.07 -40.05 86.98 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -40.03 84.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.096 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.3 -26.03 58.38 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.924 -1.11 . . . . 0.0 109.079 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.87 -43.89 90.95 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.173 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.11 -40.01 95.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.96 . . . . 0.0 108.519 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 74' ' ' PHE . 5.2 mp -71.53 -56.17 6.42 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.74 0.781 . . . . 0.0 109.103 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.5 m-20 -81.95 42.42 0.72 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.07 -22.92 4.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 62' ' ' ASP . 75.9 m-20 -79.75 -8.76 59.45 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.635 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.79 76.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 68' ' ' GLU . 43.0 p-10 -92.02 -0.05 57.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.209 -1.171 . . . . 0.0 110.959 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.04 5.13 0.56 Allowed Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.8 mt-10 -129.67 151.94 49.72 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 71' ' ' PHE . 24.2 t -122.22 150.59 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 121.451 0.643 . . . . 0.0 110.31 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.8 18.87 7.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.449 -0.782 . . . . 0.0 109.707 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 46.9 t80 62.6 -42.25 0.18 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 122.071 -0.393 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 70' ' ' ASP . 60.2 tt0 -65.53 -40.07 92.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.508 -1.37 . . . . 0.0 108.99 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 81.2 mt-10 -60.14 -40.0 88.29 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.0 -1.062 . . . . 0.0 108.284 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.8 t80 -61.08 -48.45 81.63 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -59.93 -39.81 81.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.882 -1.136 . . . . 0.0 111.402 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.23 -40.02 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.473 -1.392 . . . . 0.0 111.581 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.78 -57.47 6.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.844 -1.16 . . . . 0.0 111.419 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.7 m -70.09 -22.49 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.885 -1.135 . . . . 0.0 110.99 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -63.35 -49.03 75.48 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.77 -1.206 . . . . 0.0 109.24 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.33 75.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 112.255 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.7 -46.83 74.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.565 -1.334 . . . . 0.0 111.919 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 83' ' ' VAL . 14.3 t -69.41 -40.1 77.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.875 -1.141 . . . . 0.0 110.383 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 82' ' ' THR . 54.6 t -59.95 -41.08 84.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.876 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.87 94.3 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.643 . . . . 0.0 109.622 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -41.25 91.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.765 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.11 -40.13 88.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.685 -1.26 . . . . 0.0 109.732 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -71.65 -24.68 61.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.626 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.04 -45.33 93.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.318 -0.864 . . . . 0.0 109.736 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 85.2 m-85 -71.13 -36.38 72.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.186 -0.947 . . . . 0.0 109.249 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -70.8 -34.35 71.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 110.551 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.17 -40.18 89.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.077 -1.015 . . . . 0.0 110.872 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' SER . 50.8 p30 -88.63 -2.43 58.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.906 -1.121 . . . . 0.0 109.736 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.662 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.712 2.645 . . . . 0.0 119.712 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 1.3 t -106.06 16.58 24.82 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.351 -1.088 . . . . 0.0 108.984 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 44.9 mt-10 -60.86 -46.71 89.51 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.363 -0.836 . . . . 0.0 109.612 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.461 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.4 tt -74.39 -40.05 62.3 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -65.41 -39.95 92.77 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.6 m -63.31 -21.83 66.5 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -70.01 -35.98 74.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 122.095 0.95 . . . . 0.0 109.632 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.38 -37.17 52.66 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.477 -0.764 . . . . 0.0 110.379 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.05 -36.34 74.92 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.541 -0.724 . . . . 0.0 110.931 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.556 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.3 t -71.85 -54.39 10.27 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.355 -0.841 . . . . 0.0 111.302 -177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.556 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -59.99 -29.06 68.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.252 -1.53 . . . . 0.0 109.446 -179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.95 -34.06 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.668 -1.27 . . . . 0.0 110.561 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -73.05 -46.37 52.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.835 -1.166 . . . . 0.0 110.8 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 15' ' ' PHE . 32.9 m -65.53 -33.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.596 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 55.8 t80 -61.0 -39.99 91.83 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -89.76 -3.45 58.16 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.84 -38.87 22.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.159 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 89.0 m-70 -102.45 -34.46 9.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.383 -0.823 . . . . 0.0 110.48 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -61.41 -39.96 92.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.15 -0.969 . . . . 0.0 110.627 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.23 -1.98 85.93 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -80.71 -20.21 43.35 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.515 -0.991 . . . . 0.0 109.319 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -94.52 -6.46 43.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 109.708 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 95.88 -38.75 3.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -72.74 70.01 0.94 Allowed 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.9 ttmt -79.54 -11.85 59.88 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.935 -0.478 . . . . 0.0 110.314 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -91.97 -16.01 27.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.063 -1.023 . . . . 0.0 109.89 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 145.3 31.76 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.0 -1.063 . . . . 0.0 109.174 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.0 tp -82.16 166.89 19.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.529 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 34.8 t -136.14 168.88 18.55 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.9 -1.125 . . . . 0.0 110.257 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -40.5 89.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.61 -0.682 . . . . 0.0 111.329 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -76.01 -32.81 59.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.729 -1.232 . . . . 0.0 111.135 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' B' ' 29' ' ' SER . 61.8 mt-10 -61.54 -50.0 74.43 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.392 -0.818 . . . . 0.0 110.963 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.0 OUTLIER -65.2 -31.48 72.67 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.45 -0.781 . . . . 0.0 110.378 -179.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.94 -40.0 87.44 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.271 -0.893 . . . . 0.0 108.793 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' B' ' 39' ' ' THR . 19.2 t70 -68.75 -39.0 80.51 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.466 0.651 . . . . 0.0 110.963 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.29 -40.8 94.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.014 -1.054 . . . . 0.0 111.878 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.0 -41.86 27.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.633 -1.292 . . . . 0.0 111.522 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -70.01 -19.98 63.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.4 p -76.24 -58.21 3.41 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.095 -1.003 . . . . 0.0 111.465 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 7.9 mt-10 -110.9 -27.9 8.61 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.047 -1.033 . . . . 0.0 112.573 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.467 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -108.66 28.21 8.64 Favored 'General case' 0 N--CA 1.512 2.642 0 O-C-N 120.909 -1.119 . . . . 0.0 110.705 -177.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.4 t -60.05 -50.11 75.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.924 -1.11 . . . . 0.0 110.923 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.9 m -63.93 -40.08 95.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.271 -0.893 . . . . 0.0 111.756 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -77.02 -69.28 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.767 -1.208 . . . . 0.0 110.321 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -83.32 98.3 9.37 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.74 139.2 54.48 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.522 HG13 ' H ' ' B' ' 48' ' ' GLN . 2.2 p -163.53 -52.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.907 -1.121 . . . . 0.0 110.047 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.522 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.5 pt20 -61.2 -41.8 97.46 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.884 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.0 -39.64 69.09 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.363 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -103.34 83.74 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.277 -0.889 . . . . 0.0 109.287 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.756 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.09 -24.1 64.34 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.88 -1.137 . . . . 0.0 108.738 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.93 -29.32 67.55 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.33 76.45 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.756 HG12 ' O ' ' B' ' 51' ' ' ALA . 13.0 p -75.1 -29.02 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.897 -1.127 . . . . 0.0 110.435 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -69.27 -41.8 76.39 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.733 1.254 . . . . 0.0 108.59 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.31 -40.0 85.97 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -39.97 85.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.075 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ptm -75.54 -26.02 57.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.821 -1.175 . . . . 0.0 109.048 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -58.84 -43.91 90.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.543 -0.723 . . . . 0.0 109.126 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 0.0 108.511 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.4 mp -71.48 -56.28 6.24 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.766 0.793 . . . . 0.0 109.146 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 94.7 m-20 -81.88 42.64 0.72 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -52.35 -22.57 4.73 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 75.9 m-20 -79.9 -8.85 59.54 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.679 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.07 34.97 77.23 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.8 p-10 -92.24 -0.03 57.43 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.271 -1.135 . . . . 0.0 110.917 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.8 5.44 0.57 Allowed Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.2 mt-10 -129.59 151.86 49.74 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.458 HG12 ' H ' ' B' ' 71' ' ' PHE . 23.3 t -122.2 150.51 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-O 121.426 0.631 . . . . 0.0 110.373 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.0 m-20 -91.74 18.73 7.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.51 -0.744 . . . . 0.0 109.691 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 47.0 t80 62.74 -42.55 0.18 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.961 -0.462 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' B' ' 70' ' ' ASP . 60.1 tt0 -65.39 -39.98 92.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.521 -1.362 . . . . 0.0 109.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 81.0 mt-10 -60.08 -40.03 88.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.923 -1.11 . . . . 0.0 108.339 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.678 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -61.24 -48.38 81.7 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.6 p -59.99 -39.96 81.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.786 -1.196 . . . . 0.0 111.333 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.56 -40.02 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.803 -1.186 . . . . 0.0 111.619 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -68.25 -57.5 5.88 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.773 -1.204 . . . . 0.0 111.435 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.678 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.8 m -70.06 -22.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.869 -1.144 . . . . 0.0 111.026 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -63.06 -49.41 74.65 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.704 -1.247 . . . . 0.0 109.206 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.42 76.1 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 112.221 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.73 -46.78 74.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.552 -1.343 . . . . 0.0 112.007 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.453 HG23 ' N ' ' B' ' 83' ' ' VAL . 14.2 t -69.52 -40.1 77.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.842 -1.161 . . . . 0.0 110.337 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 108.72 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.78 94.03 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.693 -0.63 . . . . 0.0 109.712 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.1 -41.28 92.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.347 -0.845 . . . . 0.0 110.66 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -60.07 -40.13 88.44 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.683 -1.261 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.72 -24.5 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.212 -0.93 . . . . 0.0 109.672 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.03 -45.47 92.72 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.304 -0.872 . . . . 0.0 109.74 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.482 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 83.9 m-85 -70.95 -36.42 72.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.23 -0.919 . . . . 0.0 109.295 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -70.86 -34.26 71.46 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.212 -0.93 . . . . 0.0 110.497 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.03 -40.55 89.71 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.055 -1.028 . . . . 0.0 110.825 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.8 p30 -88.3 -2.54 58.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.985 -1.072 . . . . 0.0 109.866 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.629 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.927 0 N-CA-C 119.396 2.518 . . . . 0.0 119.396 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 6' ' ' THR . 17.5 t -103.49 -66.7 0.93 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.351 -1.088 . . . . 0.0 110.838 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.63 -56.85 3.61 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.33 -0.856 . . . . 0.0 111.587 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.5 OUTLIER -60.9 -45.7 93.56 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.191 -0.943 . . . . 0.0 109.693 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 60.7 tt0 -63.15 -40.04 96.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.277 -0.89 . . . . 0.0 109.054 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 10' ' ' THR . 9.1 m -63.61 -21.07 66.16 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.53 -39.3 77.59 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.619 -0.675 . . . . 0.0 110.8 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.27 -36.52 29.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.638 -1.289 . . . . 0.0 110.401 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.528 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 64.2 mm-40 -69.9 -34.08 73.04 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.337 -0.852 . . . . 0.0 110.466 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.9 t -75.38 -45.03 41.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.392 -0.817 . . . . 0.0 112.054 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' N ' HG23 ' A' ' 10' ' ' THR . 2.8 pp -72.5 -28.33 62.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.119 -1.613 . . . . 0.0 109.221 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.99 -39.2 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.188 -0.945 . . . . 0.0 109.777 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 93.4 m-20 -70.04 -41.03 74.77 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.877 0.846 . . . . 0.0 110.33 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -27.74 23.14 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.5 m-85 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -85.86 -10.43 55.36 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.565 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.89 53.45 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.912 -1.117 . . . . 0.0 109.421 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -102.42 -21.59 14.23 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.391 -0.818 . . . . 0.0 111.446 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -67.59 -33.01 74.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.983 -1.073 . . . . 0.0 110.825 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.36 2.35 63.01 Favored Glycine 0 N--CA 1.498 2.772 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -70.05 -32.12 70.08 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.19 -7.44 42.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.636 -0.665 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.61 -15.05 64.15 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 27' ' ' LYS . 57.2 t0 -84.84 56.04 3.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.123 -1.222 . . . . 0.0 107.767 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -76.71 -7.13 54.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.948 -0.47 . . . . 0.0 110.902 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.93 -14.31 48.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.765 -1.209 . . . . 0.0 108.733 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' ASP . 16.4 ttmm -160.04 160.03 32.72 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.1 tp -83.51 163.96 20.13 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.824 -1.173 . . . . 0.0 108.115 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -136.82 167.83 20.71 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.717 -1.239 . . . . 0.0 110.822 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.97 -39.9 87.26 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.39 -0.819 . . . . 0.0 112.285 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -76.19 -29.99 57.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.43 -1.419 . . . . 0.0 110.335 -178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.32 -46.64 72.88 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.245 -0.91 . . . . 0.0 111.502 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -69.71 -35.68 75.27 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.274 -0.891 . . . . 0.0 110.845 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 85.7 tttt -60.11 -39.87 87.72 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.921 -1.112 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 60.1 t0 -62.21 -39.28 92.23 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.491 -0.756 . . . . 0.0 110.075 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.95 -39.15 87.19 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.332 -0.855 . . . . 0.0 111.722 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 44.3 mt -78.16 -43.18 29.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.425 -1.422 . . . . 0.0 111.472 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.73 -19.2 65.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.667 -0.645 . . . . 0.0 111.041 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 35' ' ' ASP . 5.0 t -94.99 -45.23 7.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.859 -1.151 . . . . 0.0 111.164 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 5' ' ' GLU . 2.8 mt-10 -108.32 -34.24 6.86 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.737 -1.227 . . . . 0.0 112.859 -177.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.4 mp -112.41 26.59 10.42 Favored 'General case' 0 N--CA 1.516 2.843 0 O-C-N 121.019 -1.05 . . . . 0.0 110.747 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.0 t -60.02 -47.35 86.22 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 110.392 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 m -61.54 -40.08 93.38 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.145 -0.972 . . . . 0.0 111.367 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -79.8 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.81 -1.181 . . . . 0.0 109.559 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.5 mp -84.04 98.43 9.85 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.09 140.02 57.12 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 118.507 -1.277 . . . . 0.0 107.845 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.3 p -160.24 -53.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.91 -1.118 . . . . 0.0 110.651 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' H ' HG13 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -59.92 -42.79 94.7 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.651 -178.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -71.91 -40.23 68.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.828 -1.17 . . . . 0.0 109.216 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -106.75 85.16 2.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.998 -1.064 . . . . 0.0 109.498 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.05 -20.88 57.38 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.128 -0.982 . . . . 0.0 108.631 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 19.4 p-10 -77.25 -19.9 55.94 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.722 -1.236 . . . . 0.0 108.05 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.85 76.75 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.2 p -76.31 -27.62 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.584 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.58 -40.07 84.84 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.403 1.097 . . . . 0.0 108.124 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -69.91 -40.14 75.78 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.388 1.089 . . . . 0.0 110.73 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 mtp -73.53 -29.98 62.8 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.867 0.841 . . . . 0.0 109.223 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -50.79 -41.64 57.26 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.479 -0.763 . . . . 0.0 109.277 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.35 -30.06 64.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.026 -1.046 . . . . 0.0 109.727 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.9 mp -68.53 -160.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.315 -0.866 . . . . 0.0 109.69 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.601 ' C ' ' H ' ' A' ' 64' ' ' ASN . 65.6 t0 -64.38 58.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.817 . . . . 0.0 110.561 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' LEU . 33.5 tt0 -74.24 37.35 0.1 Allowed 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' A' ' 62' ' ' ASP . 8.0 t-20 -85.85 -4.97 59.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 11.07 15.59 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 68' ' ' GLU . 45.4 t0 -70.05 -44.18 69.69 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.729 -0.865 . . . . 0.0 110.527 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.11 -7.74 9.77 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 106.939 -2.464 . . . . 0.0 106.939 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.9 mt-10 -122.98 131.37 53.68 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 t -96.14 143.61 11.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 O-C-N 121.507 -0.745 . . . . 0.0 110.01 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.0 t70 -83.73 29.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.468 -0.77 . . . . 0.0 111.3 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 61.01 -57.3 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.684 -0.635 . . . . 0.0 111.258 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.5 tt0 -60.04 -39.39 85.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.711 -1.243 . . . . 0.0 109.734 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.879 -1.138 . . . . 0.0 109.894 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 78' ' ' VAL . 63.4 t80 -69.89 -47.74 61.33 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.34 -0.85 . . . . 0.0 113.232 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 4.3 p -59.99 -40.01 81.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.696 -1.253 . . . . 0.0 111.285 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' B' ' 76' ' ' VAL . 72.0 t -70.01 -39.96 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.646 -1.284 . . . . 0.0 111.293 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.37 -56.65 12.96 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.224 -0.923 . . . . 0.0 110.735 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.5 m -72.35 -20.98 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.407 -0.808 . . . . 0.0 111.293 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.31 -54.55 19.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.979 -1.076 . . . . 0.0 109.757 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.96 94.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.427 -0.796 . . . . 0.0 111.203 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.39 -41.85 97.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.788 -1.195 . . . . 0.0 111.109 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -69.2 -39.24 78.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.936 -1.103 . . . . 0.0 110.548 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.13 -42.33 89.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.402 -0.812 . . . . 0.0 109.63 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -36.99 78.19 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.48 -0.763 . . . . 0.0 110.061 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.77 -38.83 82.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.201 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -39.2 85.19 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.374 -0.829 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' OE1' ' A' ' 91' ' ' GLU . 94.3 m-20 -65.67 -39.96 91.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.029 -1.045 . . . . 0.0 109.478 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.32 -35.23 79.68 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.392 -0.818 . . . . 0.0 109.831 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -69.15 -22.87 63.91 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.336 -0.852 . . . . 0.0 109.131 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -63.69 -41.49 98.13 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.524 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 52.4 mp0 -65.37 -40.03 93.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.061 -1.024 . . . . 0.0 109.002 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.0 -40.03 87.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 109.052 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.302 -1.457 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.44 -179.732 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.504 2.562 . . . . 0.0 119.504 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -103.47 -66.43 0.94 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.29 -1.123 . . . . 0.0 110.955 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -82.88 -56.53 3.76 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.244 -0.91 . . . . 0.0 111.462 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.5 OUTLIER -60.75 -46.01 92.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.263 -0.898 . . . . 0.0 109.704 -178.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 60.2 tt0 -62.91 -40.06 96.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.357 -0.84 . . . . 0.0 109.08 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.562 ' O ' HG22 ' B' ' 10' ' ' THR . 11.8 m -63.79 -21.02 66.22 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.55 -39.19 77.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.643 -0.661 . . . . 0.0 110.853 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.5 mmm -81.18 -37.14 29.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.591 -1.318 . . . . 0.0 110.446 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.522 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 63.1 mm-40 -69.31 -33.95 73.93 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.365 -0.835 . . . . 0.0 110.601 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.562 HG22 ' O ' ' B' ' 6' ' ' THR . 10.1 t -75.68 -45.34 37.48 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 111.931 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.519 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -72.02 -28.44 63.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.075 -1.641 . . . . 0.0 109.154 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -70.06 -38.91 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.096 -1.003 . . . . 0.0 109.923 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 93.5 m-20 -70.47 -40.73 73.5 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.93 0.871 . . . . 0.0 110.475 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -27.57 23.04 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 1.5 m-85 -64.34 -39.99 94.98 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -85.75 -10.75 55.08 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.26 54.93 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 120.932 -1.105 . . . . 0.0 109.458 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -102.68 -21.7 14.07 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.449 -0.782 . . . . 0.0 111.416 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 64.1 m -67.55 -32.83 73.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.017 -1.052 . . . . 0.0 110.805 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 2.57 62.55 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -70.03 -32.13 70.11 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -94.28 -7.4 42.06 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.582 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.8 -15.2 63.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' B' ' 27' ' ' LYS . 57.3 t0 -84.82 55.98 3.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.125 -1.221 . . . . 0.0 107.861 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.61 -7.42 55.22 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.888 -0.507 . . . . 0.0 110.772 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -84.5 -14.53 48.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.213 . . . . 0.0 108.739 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 24' ' ' ASP . 16.1 ttmm -160.19 160.01 32.3 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 28' ' ' LEU . 37.4 tp -83.34 163.84 20.39 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.77 -1.206 . . . . 0.0 108.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 97.0 p -136.41 168.13 20.02 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.737 -1.227 . . . . 0.0 110.679 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.355 -0.841 . . . . 0.0 112.329 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -76.25 -29.94 57.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.487 -1.383 . . . . 0.0 110.432 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.37 -46.77 72.38 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.321 -0.862 . . . . 0.0 111.485 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.1 pp -69.65 -35.47 75.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.201 -0.937 . . . . 0.0 110.939 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.06 -40.05 88.1 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.98 -1.075 . . . . 0.0 109.352 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.731 ' O ' HG22 ' B' ' 39' ' ' THR . 60.7 t0 -62.86 -37.4 86.7 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.474 -0.766 . . . . 0.0 110.354 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.34 -38.94 81.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 111.742 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 42' ' ' SER . 40.0 mt -78.4 -43.34 27.71 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.416 -1.428 . . . . 0.0 111.42 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -65.19 -19.86 66.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.619 -0.676 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.731 HG22 ' O ' ' B' ' 35' ' ' ASP . 5.0 t -94.54 -45.02 7.58 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.775 -1.203 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 2.8 mt-10 -108.35 -34.58 6.76 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.659 -1.276 . . . . 0.0 112.867 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.5 mp -112.18 26.66 10.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.037 -1.039 . . . . 0.0 110.716 -177.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' B' ' 37' ' ' LEU . 14.3 t -59.92 -47.62 85.03 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.344 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 54.5 m -61.53 -40.0 93.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.252 -0.905 . . . . 0.0 111.523 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.81 -69.67 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.743 -1.223 . . . . 0.0 109.502 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.8 mp -84.35 98.21 9.89 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.97 139.93 57.09 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 118.613 -1.235 . . . . 0.0 107.884 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.482 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.4 p -160.37 -53.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.92 -1.113 . . . . 0.0 110.646 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.482 ' H ' HG13 ' B' ' 47' ' ' VAL . 0.0 OUTLIER -60.0 -42.59 94.59 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 118.879 -1.128 . . . . 0.0 109.617 -178.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.449 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -72.11 -39.97 68.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.766 -1.208 . . . . 0.0 109.14 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -106.77 84.91 2.07 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.011 -1.056 . . . . 0.0 109.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.582 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.09 -20.51 54.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.12 -0.988 . . . . 0.0 108.694 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -77.59 -19.95 54.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.714 -1.241 . . . . 0.0 108.015 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.76 76.58 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.582 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.2 p -76.3 -27.43 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.509 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -67.92 -40.1 83.45 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.413 1.101 . . . . 0.0 108.11 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -69.92 -40.08 75.78 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.347 1.07 . . . . 0.0 110.74 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -39.97 84.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtp -73.47 -29.88 62.81 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.861 . . . . 0.0 109.356 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -50.77 -41.82 57.16 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.554 -0.717 . . . . 0.0 109.24 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -72.11 -30.17 64.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.021 . . . . 0.0 109.881 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.7 mp -68.5 -160.43 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.28 -0.887 . . . . 0.0 109.55 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 64' ' ' ASN . 65.4 t0 -64.46 57.97 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 0.0 110.534 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 32.8 tt0 -74.3 37.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' B' ' 62' ' ' ASP . 7.9 t-20 -86.0 -4.94 59.28 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.57 10.88 16.0 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.7 t0 -70.0 -44.42 69.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.786 -0.832 . . . . 0.0 110.579 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 -8.12 10.74 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 106.793 -2.523 . . . . 0.0 106.793 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.4 mt-10 -122.69 131.48 53.81 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 t -96.3 143.74 11.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.519 -0.738 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' B' ' 72' ' ' GLN . 8.0 t70 -84.15 30.27 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.393 -0.817 . . . . 0.0 111.29 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 60.9 -57.24 0.09 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.736 -0.602 . . . . 0.0 111.319 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.7 tt0 -60.03 -39.56 86.29 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.696 -1.253 . . . . 0.0 109.77 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.871 -1.143 . . . . 0.0 109.98 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.813 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.9 t80 -69.84 -47.7 61.72 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.4 p -60.1 -39.91 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.682 -1.261 . . . . 0.0 111.114 -176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.547 HG13 HG13 ' A' ' 76' ' ' VAL . 74.2 t -69.82 -40.0 78.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.088 -1.008 . . . . 0.0 111.176 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.78 -56.67 12.14 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.087 -1.008 . . . . 0.0 110.873 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.813 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -72.32 -20.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.46 -0.775 . . . . 0.0 111.187 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.46 -54.58 19.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.067 -1.021 . . . . 0.0 109.842 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.1 95.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 111.103 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.72 -42.36 97.11 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.811 -1.18 . . . . 0.0 111.114 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -68.86 -39.65 79.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.879 -1.138 . . . . 0.0 110.445 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.86 -42.17 88.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.514 -0.741 . . . . 0.0 109.588 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.98 78.26 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.78 -38.95 83.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.264 -0.898 . . . . 0.0 109.144 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.01 -39.15 84.82 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.507 -0.745 . . . . 0.0 110.224 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.435 ' O ' ' OE1' ' B' ' 91' ' ' GLU . 94.5 m-20 -65.75 -40.04 91.67 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.892 -1.13 . . . . 0.0 109.464 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -63.19 -35.24 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.399 -0.813 . . . . 0.0 109.868 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.93 -23.21 64.13 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 0.0 109.112 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.201 -0.937 . . . . 0.0 109.549 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 52.5 mp0 -65.54 -39.94 92.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.091 -1.005 . . . . 0.0 108.892 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.97 -39.98 87.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.229 -0.919 . . . . 0.0 109.113 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.514 -179.612 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.807 0 N-CA-C 119.354 2.501 . . . . 0.0 119.354 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 6' ' ' THR . 70.6 m -75.12 18.28 0.2 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -1.148 . . . . 0.0 108.824 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 1' ' ' GLY . 75.2 mt-10 -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' B' ' 41' ' ' LEU . 59.4 tp -69.95 -40.04 75.67 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.32 -40.01 89.65 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.726 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.62 ' O ' HG22 ' A' ' 10' ' ' THR . 18.1 m -66.68 -21.03 66.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.22 -39.6 78.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.361 0.6 . . . . 0.0 110.593 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 8' ' ' MET . 1.2 mpt? -81.82 -39.14 24.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.595 -1.316 . . . . 0.0 110.522 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 78.5 mm-40 -69.64 -28.13 65.64 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 120.918 -1.114 . . . . 0.0 110.907 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 6' ' ' THR . 9.6 t -80.15 -47.66 14.39 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.464 -0.772 . . . . 0.0 111.852 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -68.32 -27.95 66.73 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 117.864 -1.534 . . . . 0.0 108.589 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 8' ' ' MET . 6.0 mm -70.04 -40.07 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 121.593 0.711 . . . . 0.0 110.27 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 12.6 m120 -67.05 -39.95 87.03 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.976 0.893 . . . . 0.0 109.778 -178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -28.5 20.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -89.93 -10.0 46.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.04 56.59 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 119.151 -1.02 . . . . 0.0 109.043 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -101.27 -38.57 8.02 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.477 -0.764 . . . . 0.0 111.213 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -60.11 -35.88 76.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.042 -1.036 . . . . 0.0 110.44 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.74 6.71 77.22 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -84.49 -25.39 28.91 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.619 -0.93 . . . . 0.0 109.629 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -96.77 -7.02 34.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.437 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.08 -25.59 26.31 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.33 61.72 2.83 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.14 -15.12 57.78 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.456 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -83.24 -14.72 52.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.871 -1.143 . . . . 0.0 109.172 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.61 153.7 33.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.231 -0.918 . . . . 0.0 109.702 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 tp -82.66 165.79 19.7 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.6 m -133.58 162.86 30.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.983 -1.073 . . . . 0.0 110.094 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.72 -39.97 86.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.288 -0.882 . . . . 0.0 110.922 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -78.18 -32.02 49.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.606 -1.309 . . . . 0.0 110.449 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.49 -47.07 87.31 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.372 -0.83 . . . . 0.0 110.138 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.6 pp -69.48 -31.82 70.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' LEU . 58.5 tttm -65.26 -32.53 74.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.081 -1.012 . . . . 0.0 109.683 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.585 ' O ' HG23 ' A' ' 39' ' ' THR . 11.6 t70 -67.88 -40.03 83.6 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.358 -0.839 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.71 -40.08 84.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.18 -0.95 . . . . 0.0 111.351 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.6 -43.87 58.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.741 -1.225 . . . . 0.0 111.622 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.31 -21.67 63.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.323 -0.861 . . . . 0.0 109.485 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.0 p -80.01 -52.33 7.96 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.24 -0.912 . . . . 0.0 111.456 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 41' ' ' LEU . 22.6 mm-40 -113.65 -27.36 7.87 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.052 -1.03 . . . . 0.0 113.252 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 40' ' ' GLU . 6.2 mp -110.65 23.97 13.54 Favored 'General case' 0 N--CA 1.516 2.846 0 O-C-N 120.867 -1.145 . . . . 0.0 110.972 -177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.7 p -59.97 -37.98 81.18 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.037 -1.039 . . . . 0.0 110.26 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 t -68.9 -41.35 78.35 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.058 -1.026 . . . . 0.0 111.171 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.97 -70.01 0.55 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.686 -1.259 . . . . 0.0 110.404 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.1 mp -81.65 93.66 6.8 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 32.0 p-10 -58.03 92.46 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.4 p -106.35 -18.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.452 -0.78 . . . . 0.0 109.974 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.31 -57.74 2.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 111.643 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.94 -49.36 77.97 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.952 -177.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' ALA . 92.3 m-20 -95.28 78.4 3.46 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.345 -1.472 . . . . 0.0 109.665 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.95 -19.67 19.33 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -67.76 -34.88 77.69 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.643 -0.661 . . . . 0.0 109.313 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.0 p -78.23 -29.05 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.339 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -65.46 -39.89 92.55 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 122.547 1.165 . . . . 0.0 108.176 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.93 -40.02 75.76 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.655 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.673 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.63 -39.97 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -177.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.0 ppp? -83.04 -25.69 31.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.586 -1.321 . . . . 0.0 110.46 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.05 -40.74 90.48 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -35.47 75.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.6 mp -80.58 -69.94 0.56 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.706 0.765 . . . . 0.0 110.332 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 92.7 m-20 -69.17 44.62 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.749 -0.594 . . . . 0.0 110.224 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' LEU . 58.2 mm-40 -57.66 -18.13 18.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -80.04 -3.21 47.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.79 32.7 85.09 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.9 p-10 -90.05 -0.07 57.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.008 -1.29 . . . . 0.0 110.606 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.21 4.35 0.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -128.55 139.66 52.18 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 t -104.95 147.37 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 CA-C-O 121.57 0.7 . . . . 0.0 110.296 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 84.7 m-20 -81.77 8.23 10.62 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.564 -0.71 . . . . 0.0 111.354 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 18.0 t80 82.01 -60.63 0.19 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.799 -0.563 . . . . 0.0 111.235 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.96 -36.89 78.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.036 -1.04 . . . . 0.0 110.179 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -60.03 -39.91 87.5 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.905 -1.122 . . . . 0.0 108.592 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 78' ' ' VAL . 64.7 t80 -68.98 -40.11 79.01 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 112.772 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.1 p -60.02 -40.14 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.204 -1.56 . . . . 0.0 110.201 -177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.02 -39.69 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 110.388 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG13 ' A' ' 57' ' ' ILE . 26.4 tp -59.93 -56.8 17.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.445 -0.784 . . . . 0.0 112.483 -176.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 74' ' ' PHE . 10.1 m -79.94 -20.46 12.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.815 . . . . 0.0 111.159 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.45 -46.78 72.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.828 -1.17 . . . . 0.0 109.363 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.92 -40.04 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.018 -1.051 . . . . 0.0 110.943 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.99 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.998 -1.064 . . . . 0.0 110.9 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.9 m -61.47 -40.09 93.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.396 -0.815 . . . . 0.0 110.924 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.96 -42.96 91.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.411 -0.806 . . . . 0.0 109.553 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.34 85.18 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.563 -0.711 . . . . 0.0 109.883 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.79 . . . . 0.0 110.185 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -58.77 -38.62 78.89 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.894 -1.129 . . . . 0.0 108.475 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.12 -20.67 55.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.903 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.03 -42.22 93.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.046 -1.034 . . . . 0.0 110.332 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.41 -14.64 56.9 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.127 -0.983 . . . . 0.0 109.659 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -73.49 -21.67 60.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.895 . . . . 0.0 110.589 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.1 -37.29 79.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.884 -1.135 . . . . 0.0 109.443 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.97 -39.98 87.53 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.326 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.764 0 N-CA-C 119.425 2.53 . . . . 0.0 119.425 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.468 ' O ' ' N ' ' B' ' 6' ' ' THR . 70.7 m -74.94 18.39 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.142 -1.211 . . . . 0.0 108.84 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 1' ' ' GLY . 75.2 mt-10 -60.11 -49.28 78.29 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' A' ' 41' ' ' LEU . 59.0 tp -69.91 -40.06 75.8 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.33 -39.91 89.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.724 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.614 ' O ' HG22 ' B' ' 10' ' ' THR . 18.7 m -66.6 -21.18 66.13 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.21 -39.47 78.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.683 -0.636 . . . . 0.0 110.639 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' B' ' 8' ' ' MET . 1.2 mpt? -81.83 -39.27 24.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.688 -1.258 . . . . 0.0 110.426 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 78.4 mm-40 -69.48 -28.32 65.98 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.942 -1.099 . . . . 0.0 110.95 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.614 HG22 ' O ' ' B' ' 6' ' ' THR . 9.6 t -79.96 -47.61 14.71 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.499 -0.751 . . . . 0.0 111.923 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.581 ' N ' HG23 ' B' ' 10' ' ' THR . 2.8 pp -68.56 -27.76 66.36 Favored 'General case' 0 C--O 1.201 -1.447 0 C-N-CA 117.962 -1.495 . . . . 0.0 108.445 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' B' ' 8' ' ' MET . 5.6 mm -70.46 -39.68 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.645 -0.659 . . . . 0.0 110.28 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 12.9 m120 -67.5 -39.98 85.19 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.969 0.89 . . . . 0.0 109.705 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -28.47 21.4 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -33.55 74.32 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -89.62 -10.2 46.86 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.12 -40.51 59.81 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.137 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -101.07 -38.63 8.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.553 -0.717 . . . . 0.0 111.272 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.3 t -60.01 -36.03 76.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.006 -1.059 . . . . 0.0 110.389 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.71 6.72 77.31 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.4 -25.31 29.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.505 -0.997 . . . . 0.0 109.64 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -96.75 -7.0 34.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.292 -0.88 . . . . 0.0 110.452 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.01 -25.47 26.76 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -78.3 61.59 2.79 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -80.01 -15.11 57.89 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -83.22 -14.74 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.875 -1.14 . . . . 0.0 109.123 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -152.76 153.55 33.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.714 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 28' ' ' LEU . 36.7 tp -82.48 165.77 19.91 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.5 m -133.23 163.56 29.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.844 -1.16 . . . . 0.0 110.019 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.428 -0.795 . . . . 0.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -78.23 -32.37 49.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.707 -1.246 . . . . 0.0 110.467 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.22 -47.1 87.63 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.356 -0.84 . . . . 0.0 110.151 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.5 pp -69.59 -31.77 70.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.426 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.1 tttm -65.23 -32.35 73.98 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.016 -1.053 . . . . 0.0 109.615 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.574 ' O ' HG23 ' B' ' 39' ' ' THR . 11.9 t70 -68.59 -38.71 80.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.345 -0.847 . . . . 0.0 110.317 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -68.59 -40.0 80.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 111.22 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -74.05 -43.67 56.97 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 111.507 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.19 -21.91 63.93 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.345 -0.847 . . . . 0.0 109.374 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.91 -52.32 8.02 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.537 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' HB2' HD12 ' B' ' 41' ' ' LEU . 23.3 mm-40 -113.49 -27.32 7.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.087 -1.008 . . . . 0.0 113.154 -177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.2 mp -110.7 24.04 13.45 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 120.822 -1.173 . . . . 0.0 111.019 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.8 p -60.05 -38.07 81.69 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.045 -1.035 . . . . 0.0 110.154 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -68.45 -41.69 79.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.148 -0.97 . . . . 0.0 111.23 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -79.98 -69.99 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.849 -1.157 . . . . 0.0 110.442 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.434 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.2 mp -81.56 93.6 6.73 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 31.8 p-10 -58.02 92.73 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 109.594 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.4 p -106.59 -18.07 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.467 -0.771 . . . . 0.0 109.862 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.21 -57.86 2.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.905 -1.122 . . . . 0.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.497 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.95 -49.27 78.34 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.043 -177.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.0 m-20 -95.38 78.05 3.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.351 -1.468 . . . . 0.0 109.779 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.55 -19.77 17.35 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -74.87 -21.54 59.18 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -67.4 -35.4 79.23 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' B' ' 51' ' ' ALA . 2.9 p -78.2 -28.57 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.469 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.57 -39.91 92.18 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.573 1.178 . . . . 0.0 108.161 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -70.14 -39.96 75.09 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.519 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.68 HG13 HD21 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -64.59 -39.98 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.914 -0.491 . . . . 0.0 110.454 -177.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.0 ppp? -82.96 -25.73 32.03 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.548 -1.345 . . . . 0.0 110.408 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.93 -40.62 89.52 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -35.76 75.72 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 2.3 mp -80.46 -70.1 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.715 0.769 . . . . 0.0 110.207 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 92.4 m-20 -68.74 44.46 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.751 -0.593 . . . . 0.0 110.342 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' B' ' 61' ' ' LEU . 58.4 mm-40 -57.62 -18.23 18.93 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.97 -3.57 48.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.16 32.77 85.01 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 68' ' ' GLU . 42.9 p-10 -90.15 -0.43 57.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.082 -1.246 . . . . 0.0 110.469 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.44 4.3 0.35 Allowed Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.3 mt-10 -128.41 139.52 52.32 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.94 147.31 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.634 0.731 . . . . 0.0 110.169 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 84.5 m-20 -81.81 8.19 10.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.73 . . . . 0.0 111.386 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' B' ' 70' ' ' ASP . 18.0 t80 82.16 -60.49 0.18 Allowed 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.787 -0.571 . . . . 0.0 111.207 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -60.01 -37.06 78.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 110.115 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.02 -39.96 87.65 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.912 -1.117 . . . . 0.0 108.562 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.5 t80 -68.99 -40.1 78.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.561 -0.712 . . . . 0.0 112.843 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -60.05 -40.18 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.097 -1.627 . . . . 0.0 110.136 -177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.99 -39.92 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.007 -1.058 . . . . 0.0 110.198 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.68 HD21 HG13 ' B' ' 57' ' ' ILE . 26.2 tp -59.9 -56.81 17.1 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.404 -0.81 . . . . 0.0 112.619 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' B' ' 74' ' ' PHE . 7.4 m -79.98 -20.38 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.396 -0.815 . . . . 0.0 111.057 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.518 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.57 -46.63 72.1 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.816 -1.177 . . . . 0.0 109.31 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.072 -1.017 . . . . 0.0 110.961 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.02 -49.98 75.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.017 -1.052 . . . . 0.0 110.799 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -61.59 -39.97 93.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.329 -0.857 . . . . 0.0 110.805 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -59.99 -42.89 91.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 O-C-N 121.379 -0.826 . . . . 0.0 109.567 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.21 85.06 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -59.94 -39.94 87.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.598 -0.689 . . . . 0.0 110.304 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.87 -38.77 79.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.845 -1.159 . . . . 0.0 108.476 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.0 -20.73 55.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.819 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.11 -42.16 94.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.0 110.19 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -81.26 -14.81 57.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.139 -0.975 . . . . 0.0 109.728 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.45 -21.77 60.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.397 -0.815 . . . . 0.0 110.695 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -59.92 -37.4 79.36 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.943 -1.098 . . . . 0.0 109.495 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.8 t-20 -59.96 -39.97 87.41 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.293 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.918 0 N-CA-C 119.37 2.508 . . . . 0.0 119.37 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -99.06 22.15 10.73 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -1.071 . . . . 0.0 109.34 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' HG1' ' B' ' 10' ' ' THR . 72.2 mt-10 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.448 -0.783 . . . . 0.0 109.542 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -71.09 -39.47 72.11 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.73 -40.06 96.02 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.604 0.716 . . . . 0.0 109.077 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 10' ' ' THR . 16.4 m -64.53 -21.94 66.83 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.23 -35.07 75.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.49 -0.756 . . . . 0.0 110.257 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.3 mtm -79.72 -34.81 39.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.338 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.74 -37.91 76.65 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.524 -0.735 . . . . 0.0 110.547 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 11' ' ' LEU . 5.5 t -73.05 -53.15 11.83 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.576 -0.703 . . . . 0.0 111.871 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.598 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -63.3 -31.08 72.14 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 120.521 -1.362 . . . . 0.0 109.46 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.92 -31.97 49.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 120.526 -1.359 . . . . 0.0 109.519 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -70.98 -44.66 65.5 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.531 -0.731 . . . . 0.0 110.691 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 m -70.96 -28.61 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.43 -41.43 96.58 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.734 0.778 . . . . 0.0 109.095 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -89.54 -9.17 50.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.43 -40.01 64.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.213 -0.929 . . . . 0.0 108.729 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.964 ' CE1' HD11 ' A' ' 36' ' ' LEU . 5.9 p-80 -98.2 -43.12 7.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.601 -0.687 . . . . 0.0 110.181 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.549 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 72.6 m -55.34 -27.88 50.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 108.967 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.38 85.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -68.53 -40.09 80.88 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -109.95 93.25 4.4 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.04 -12.68 67.74 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -60.13 -48.92 79.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.964 -1.315 . . . . 0.0 108.041 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -82.25 127.84 33.59 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.488 -0.757 . . . . 0.0 108.983 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 61.8 t80 -94.37 48.58 1.24 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.97 165.94 26.76 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 29' ' ' SER . 42.3 tp -80.87 167.12 20.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.753 -1.217 . . . . 0.0 107.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.2 t -136.95 165.33 26.24 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.971 -1.081 . . . . 0.0 110.329 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -59.28 -39.98 84.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.562 -0.711 . . . . 0.0 111.183 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -74.5 -32.78 62.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.757 -1.214 . . . . 0.0 110.493 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 41.2 mt-10 -60.84 -53.8 52.88 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.821 0.819 . . . . 0.0 110.558 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -33.12 74.67 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.143 -0.973 . . . . 0.0 110.807 -179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.6 -39.9 95.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.921 -1.112 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.635 ' O ' HG23 ' A' ' 39' ' ' THR . 26.8 t0 -61.7 -41.15 97.2 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 110.399 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 ' CE1' ' A' ' 18' ' ' HIS . 78.4 mt -63.03 -40.0 96.41 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 112.079 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 45' ' ' LEU . 79.6 mt -77.4 -40.89 42.06 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.813 -1.179 . . . . 0.0 111.229 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.74 -19.99 61.28 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 109.29 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.2 p -77.56 -58.47 3.25 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.289 -0.882 . . . . 0.0 111.136 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' C ' HD12 ' A' ' 41' ' ' LEU . 12.3 mt-10 -110.67 -28.9 8.24 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.04 -1.037 . . . . 0.0 112.342 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.0 mp -110.28 29.42 7.69 Favored 'General case' 0 N--CA 1.515 2.782 0 O-C-N 120.802 -1.186 . . . . 0.0 110.801 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.453 ' OG ' ' NE2' ' A' ' 48' ' ' GLN . 8.5 t -59.94 -46.96 87.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.931 -1.105 . . . . 0.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.0 t -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 111.47 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.724 -1.235 . . . . 0.0 110.309 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' O ' HG12 ' A' ' 47' ' ' VAL . 77.4 mt -82.34 95.39 7.6 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.03 140.07 57.04 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.469 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -162.37 -69.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.0 -1.063 . . . . 0.0 109.991 -178.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.696 ' H ' HG13 ' A' ' 47' ' ' VAL . 5.7 pt20 -43.53 -40.46 3.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.666 -0.646 . . . . 0.0 110.557 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -72.14 -42.67 65.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.88 -1.137 . . . . 0.0 109.348 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -103.52 87.13 2.77 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.072 -1.017 . . . . 0.0 108.855 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -61.03 -24.45 66.19 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.263 -0.898 . . . . 0.0 108.973 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.6 -23.04 61.65 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.428 -1.42 . . . . 0.0 107.79 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.17 85.2 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.1 p -70.09 -29.53 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.359 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -66.28 -38.59 88.16 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 122.426 1.108 . . . . 0.0 108.545 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -39.01 83.48 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.769 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 pt -80.06 -29.06 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.079 -1.013 . . . . 0.0 111.444 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.494 ' SD ' ' C ' ' A' ' 58' ' ' MET . 5.1 ppp? -80.5 -27.07 37.83 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.474 -1.391 . . . . 0.0 108.462 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' SD ' ' A' ' 58' ' ' MET . 29.3 ttmt -65.72 -46.76 77.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.56 -0.713 . . . . 0.0 109.709 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -60.06 -40.04 88.11 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -74.15 -58.51 3.25 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.651 0.739 . . . . 0.0 109.315 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 94.7 m-20 -82.46 25.4 0.63 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LYS . 18.0 pt-20 -50.64 -19.02 0.8 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.225 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -74.49 4.8 5.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.34 -0.85 . . . . 0.0 110.776 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.63 43.09 19.89 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.668 ' O ' ' N ' ' A' ' 68' ' ' GLU . 18.7 p-10 -141.68 95.97 2.9 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.82 26.34 0.01 OUTLIER Glycine 0 N--CA 1.507 3.385 0 O-C-N 121.879 -0.513 . . . . 0.0 111.998 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 66' ' ' ASP . 95.9 mt-10 -128.81 128.31 43.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 71' ' ' PHE . 46.7 t -95.8 154.21 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.19 -0.944 . . . . 0.0 110.939 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.532 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 39.5 t0 -95.77 16.26 17.97 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.356 -0.84 . . . . 0.0 112.316 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 2.4 m-85 81.8 -63.94 0.15 Allowed 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.229 -0.92 . . . . 0.0 112.112 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.07 -39.42 85.96 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.943 -1.098 . . . . 0.0 110.334 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -60.08 -40.06 88.24 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.678 -1.264 . . . . 0.0 109.523 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 78' ' ' VAL . 90.3 t80 -68.44 -50.84 49.68 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.0 -38.58 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 O-C-N 120.817 -1.177 . . . . 0.0 111.254 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 76' ' ' VAL . 54.1 t -65.33 -40.01 87.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.56 -1.337 . . . . 0.0 111.196 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.24 -58.48 4.35 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.002 -1.061 . . . . 0.0 112.574 -177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.05 -23.81 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.379 -0.826 . . . . 0.0 111.019 -178.175 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.46 72.58 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.003 -1.06 . . . . 0.0 110.377 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.3 81.82 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.213 -0.93 . . . . 0.0 111.168 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.45 -39.84 85.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.666 -1.271 . . . . 0.0 110.473 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' VAL . 66.9 p -69.83 -46.59 65.29 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.917 -1.114 . . . . 0.0 111.966 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 84' ' ' ALA . 10.6 p -62.77 -40.0 86.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 120.521 -1.362 . . . . 0.0 109.098 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.46 -39.95 92.75 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.684 -0.635 . . . . 0.0 110.914 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 14.9 p -66.04 -40.09 90.7 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.913 -1.117 . . . . 0.0 110.346 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.9 t-20 -59.96 -40.11 87.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.875 -1.141 . . . . 0.0 109.472 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -70.74 -27.27 63.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.375 -0.828 . . . . 0.0 109.397 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -59.98 -44.26 94.6 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.393 -0.817 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -76.72 -23.28 53.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.211 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -71.02 -16.69 62.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.431 -0.793 . . . . 0.0 109.143 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.95 -39.45 85.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.436 -0.79 . . . . 0.0 109.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 93' ' ' SER . 97.4 m-20 -59.92 -40.01 87.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.123 -0.986 . . . . 0.0 109.444 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 92' ' ' ASN . 6.1 t . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.554 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.866 0 N-CA-C 119.405 2.522 . . . . 0.0 119.405 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -99.08 22.07 10.87 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.408 -1.054 . . . . 0.0 109.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.511 ' C ' ' HG1' ' A' ' 10' ' ' THR . 70.5 mt-10 -59.98 -50.05 75.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.401 -0.812 . . . . 0.0 109.509 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.474 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -71.0 -39.5 72.38 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.76 -40.05 96.07 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.523 ' O ' HG22 ' B' ' 10' ' ' THR . 16.4 m -64.54 -21.89 66.81 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.98 -34.99 76.2 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.545 -0.722 . . . . 0.0 110.414 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 53.9 mtm -80.41 -34.64 36.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.028 -1.045 . . . . 0.0 110.367 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.55 -38.2 77.35 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.606 0.717 . . . . 0.0 110.432 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.593 HG23 ' N ' ' B' ' 11' ' ' LEU . 5.4 t -73.07 -53.39 11.22 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.572 -0.705 . . . . 0.0 111.81 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.593 ' N ' HG23 ' B' ' 10' ' ' THR . 2.9 pp -62.98 -31.08 72.13 Favored 'General case' 0 C--O 1.198 -1.609 0 O-C-N 120.428 -1.42 . . . . 0.0 109.436 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.0 -31.7 48.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 O-C-N 120.452 -1.405 . . . . 0.0 109.663 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -71.58 -44.25 64.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.0 110.807 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -70.61 -29.09 36.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 10.1 t80 -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.731 0.777 . . . . 0.0 109.138 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.74 -8.59 51.91 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.97 63.74 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.3 -0.875 . . . . 0.0 108.742 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.958 ' CE1' HD11 ' B' ' 36' ' ' LEU . 5.9 p-80 -98.31 -43.05 7.1 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.212 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.55 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 73.8 m -55.38 -27.85 50.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.366 -0.834 . . . . 0.0 109.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.18 -2.34 85.77 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -68.65 -40.01 80.44 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -109.94 93.34 4.45 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.98 -12.87 67.54 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.01 -49.11 78.96 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.943 -1.328 . . . . 0.0 108.113 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 127.57 33.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.391 -0.818 . . . . 0.0 109.121 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 62.8 t80 -94.0 47.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -161.87 165.28 27.93 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' B' ' 29' ' ' SER . 42.6 tp -80.26 167.01 20.82 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.724 -1.235 . . . . 0.0 108.016 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 19.3 t -136.22 166.42 23.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.298 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.0 -39.99 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.784 -0.573 . . . . 0.0 111.334 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -74.61 -32.95 62.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.909 -1.119 . . . . 0.0 110.565 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 29' ' ' SER . 41.6 mt-10 -60.69 -54.0 50.65 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.815 0.817 . . . . 0.0 110.524 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.9 OUTLIER -62.59 -33.66 75.43 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.197 -0.94 . . . . 0.0 110.856 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.11 -40.04 94.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.801 -1.187 . . . . 0.0 110.44 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.617 ' O ' HG23 ' B' ' 39' ' ' THR . 26.4 t0 -61.97 -40.02 94.15 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.641 0.734 . . . . 0.0 110.669 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.958 HD11 ' CE1' ' B' ' 18' ' ' HIS . 76.5 mt -64.04 -40.03 95.4 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.994 -177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.32 -41.01 42.22 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.832 -1.168 . . . . 0.0 111.252 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -72.51 -20.01 61.43 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.386 -0.821 . . . . 0.0 109.312 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.617 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -77.47 -58.75 3.1 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.264 -0.898 . . . . 0.0 111.123 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.6 mt-10 -110.56 -28.86 8.3 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.953 -1.092 . . . . 0.0 112.291 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.493 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -110.1 29.32 7.76 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.921 -1.112 . . . . 0.0 110.859 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.449 ' OG ' ' NE2' ' B' ' 48' ' ' GLN . 8.6 t -59.99 -46.85 88.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.897 -1.127 . . . . 0.0 110.578 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 35.1 t -64.71 -40.01 94.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.247 -0.908 . . . . 0.0 111.479 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -79.97 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.858 -1.151 . . . . 0.0 110.326 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.472 ' O ' HG12 ' B' ' 47' ' ' VAL . 77.4 mt -82.38 95.34 7.61 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.0 140.0 57.06 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.473 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.694 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -162.35 -68.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.018 . . . . 0.0 110.074 -178.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.694 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.0 pt20 -43.95 -40.48 4.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.548 -0.72 . . . . 0.0 110.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -71.95 -42.21 66.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.857 -1.152 . . . . 0.0 109.407 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -103.77 86.68 2.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.191 -0.943 . . . . 0.0 108.947 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.688 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -61.06 -24.42 66.2 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.961 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -71.41 -23.48 61.88 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.462 -1.399 . . . . 0.0 107.813 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.688 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.6 p -69.44 -29.42 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.351 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -66.53 -38.35 86.98 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 122.52 1.152 . . . . 0.0 108.447 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -40.0 84.62 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.656 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pt -79.82 -28.39 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.883 -1.136 . . . . 0.0 111.538 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' B' ' 58' ' ' MET . 5.1 ppp? -80.59 -26.99 37.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.405 -1.435 . . . . 0.0 108.43 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.446 ' N ' ' SD ' ' B' ' 58' ' ' MET . 28.6 ttmt -66.07 -46.36 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.701 . . . . 0.0 109.608 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.2 -40.01 88.55 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 1.0 OUTLIER -74.25 -58.4 3.32 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.636 0.731 . . . . 0.0 109.277 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 94.7 m-20 -82.59 25.48 0.64 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.554 -0.717 . . . . 0.0 109.118 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -50.88 -18.36 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.278 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' B' ' 62' ' ' ASP . 23.4 t-20 -74.91 4.66 6.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.425 -0.797 . . . . 0.0 110.668 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.97 19.61 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.6 p-10 -141.71 96.06 2.91 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.91 26.45 0.01 OUTLIER Glycine 0 N--CA 1.507 3.392 0 O-C-N 121.894 -0.504 . . . . 0.0 112.003 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.67 ' N ' ' O ' ' B' ' 66' ' ' ASP . 95.9 mt-10 -128.92 128.01 42.92 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 71' ' ' PHE . 46.4 t -95.58 154.4 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.247 -0.908 . . . . 0.0 110.977 -177.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 38.7 t0 -95.81 16.11 18.45 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.299 -0.876 . . . . 0.0 112.258 -177.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 2.4 m-85 81.99 -64.05 0.14 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.118 -0.989 . . . . 0.0 112.016 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.95 -39.7 86.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.897 -1.127 . . . . 0.0 110.264 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -59.96 -40.06 87.73 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.707 -1.245 . . . . 0.0 109.534 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.489 ' O ' HG22 ' B' ' 78' ' ' VAL . 90.5 t80 -68.49 -50.87 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.406 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.2 p -59.95 -39.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 120.795 -1.191 . . . . 0.0 111.073 -176.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 76' ' ' VAL . 53.6 t -64.3 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 120.796 -1.19 . . . . 0.0 111.108 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.77 -58.49 4.13 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.891 -1.131 . . . . 0.0 112.588 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -70.07 -23.61 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.442 -0.786 . . . . 0.0 111.041 -178.022 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.1 -43.2 71.55 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.116 -0.99 . . . . 0.0 110.276 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.127 -0.983 . . . . 0.0 111.056 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.79 -39.95 87.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.842 -1.161 . . . . 0.0 110.657 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' O ' ' B' ' 78' ' ' VAL . 78.6 p -69.64 -47.17 64.32 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.887 -1.133 . . . . 0.0 111.831 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.4 p -62.12 -39.98 85.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.413 -1.43 . . . . 0.0 109.232 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.52 -40.1 93.42 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.541 -0.724 . . . . 0.0 110.847 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 14.7 p -65.81 -40.08 91.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.86 -1.15 . . . . 0.0 110.336 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.505 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 28.9 t-20 -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.069 -1.019 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.72 -27.39 63.94 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.348 -0.845 . . . . 0.0 109.416 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.91 -44.34 94.32 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.387 -0.821 . . . . 0.0 109.817 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -76.69 -23.27 53.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 109.21 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -71.05 -16.58 62.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.31 -0.869 . . . . 0.0 109.074 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -59.86 -39.61 85.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.81 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 93' ' ' SER . 97.4 m-20 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.963 . . . . 0.0 109.387 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 92' ' ' ASN . 5.8 t . . . . . 0 C--N 1.301 -1.533 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.535 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.927 0 N-CA-C 119.816 2.687 . . . . 0.0 119.816 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -106.34 21.05 18.03 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.307 -1.113 . . . . 0.0 108.969 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 10' ' ' THR . 34.2 tt0 -59.65 -50.15 74.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.9 OUTLIER -72.32 -39.73 67.99 Favored 'General case' 0 C--N 1.285 -2.22 0 O-C-N 120.654 -1.278 . . . . 0.0 108.508 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.17 -40.19 89.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 10' ' ' THR . 20.4 m -60.75 -22.95 64.58 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -68.94 -35.12 76.42 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 -179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' HD21 ' B' ' 41' ' ' LEU . 68.8 mtp -74.57 -37.59 62.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.78 -1.2 . . . . 0.0 109.573 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 94.7 mt-10 -68.17 -38.99 82.68 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.71 0.767 . . . . 0.0 111.374 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.8 t -73.71 -51.76 15.5 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 10' ' ' THR . 2.5 pp -69.3 -25.75 64.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.135 -1.603 . . . . 0.0 108.833 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.63 -28.78 22.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.045 -1.035 . . . . 0.0 108.999 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 96.2 m-20 -73.05 -40.42 65.12 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.735 0.779 . . . . 0.0 109.402 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 HD22 ' A' ' 36' ' ' LEU . 1.2 t -70.42 -34.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.613 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 37.6 t80 -60.33 -42.13 94.99 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -85.58 -9.26 57.59 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.71 -38.08 48.1 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.939 -1.101 . . . . 0.0 109.917 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' ND1' HD21 ' A' ' 36' ' ' LEU . 78.7 m80 -103.53 -37.7 7.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.279 -0.888 . . . . 0.0 110.858 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -56.45 -28.45 59.61 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.175 -0.953 . . . . 0.0 110.406 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.43 0.06 61.4 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.55 -31.35 63.59 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.534 -0.98 . . . . 0.0 109.543 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -95.03 -5.91 43.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.0 111.632 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.89 -11.38 70.73 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' TYR . 99.6 m-20 -84.43 25.12 0.91 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 23' ' ' GLY . 25.3 ttmt -42.88 -13.21 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.206 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' N ' ' O ' ' A' ' 24' ' ' ASP . 94.4 m-85 -90.1 -15.55 31.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.607 -1.308 . . . . 0.0 109.416 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -148.68 150.2 32.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.017 -1.052 . . . . 0.0 109.943 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.4 165.68 19.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.08 -1.013 . . . . 0.0 108.347 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -136.49 164.5 28.03 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.732 -1.23 . . . . 0.0 110.504 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.96 -39.95 87.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.512 -0.742 . . . . 0.0 111.325 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 10.5 tmtt? -77.0 -32.13 56.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.647 -1.283 . . . . 0.0 110.421 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.73 -49.99 74.21 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.768 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.1 pp -70.66 -33.81 71.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 111.451 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 50.0 tttm -60.37 -37.35 80.47 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 120.805 -1.185 . . . . 0.0 109.078 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 39' ' ' THR . 70.1 m-20 -66.41 -39.82 89.21 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 110.116 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 14' ' ' VAL . 72.2 mt -61.45 -40.18 93.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.102 -0.999 . . . . 0.0 110.571 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 42' ' ' SER . 21.6 mt -73.51 -40.1 64.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.969 -1.082 . . . . 0.0 110.13 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 28.0 mt-30 -69.92 -22.3 63.21 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.561 0.696 . . . . 0.0 109.697 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' ASP . 22.6 p -90.45 -53.16 4.56 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.395 -0.816 . . . . 0.0 112.788 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.1 mt-10 -109.96 -32.39 7.05 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.73 -1.231 . . . . 0.0 112.709 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -111.5 26.51 10.58 Favored 'General case' 0 N--CA 1.516 2.825 0 O-C-N 120.898 -1.126 . . . . 0.0 109.808 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' LEU . 55.1 p -60.39 -40.08 89.64 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.167 -0.958 . . . . 0.0 111.102 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.8 p -67.22 -40.56 86.43 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.913 -1.117 . . . . 0.0 111.782 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -76.45 -68.62 0.57 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.681 -1.262 . . . . 0.0 109.842 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.9 mp -81.02 98.52 8.0 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 82.4 m-20 -62.95 80.9 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.999 -0.68 . . . . 0.0 110.083 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -94.04 -15.01 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.62 -0.675 . . . . 0.0 109.591 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -80.13 -69.42 0.59 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 112.248 -178.136 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.18 -50.24 71.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.224 -0.923 . . . . 0.0 110.474 -176.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.7 m-20 -93.45 77.17 4.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.258 -1.526 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.09 -21.3 21.29 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 63.4 t0 -70.15 -26.88 64.13 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.38 -32.54 73.36 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -75.53 -30.43 22.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.634 -0.666 . . . . 0.0 110.022 -179.327 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -70.25 -39.5 74.98 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 109.012 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HZ2' ' HA ' ' A' ' 53' ' ' ALA . 10.1 mtmp? -69.69 -39.89 76.67 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.175 0.988 . . . . 0.0 109.902 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.66 HG13 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -64.84 -38.95 84.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ASP . 91.0 mmm -71.51 -30.41 65.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.153 -0.967 . . . . 0.0 109.689 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -55.32 -40.64 71.38 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.63 -34.53 78.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 2.8 mp -81.71 -70.04 0.57 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.508 0.67 . . . . 0.0 110.564 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' MET . 91.0 m-20 -74.49 34.87 0.1 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.528 -0.732 . . . . 0.0 109.624 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 61' ' ' LEU . 89.4 tt0 -54.41 -21.31 9.36 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -85.09 -3.36 58.77 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.476 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.37 32.9 64.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' GLU . 48.8 p-10 -91.97 -3.24 56.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.097 -1.237 . . . . 0.0 110.199 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.09 8.63 0.26 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 66' ' ' ASP . 99.3 mt-10 -135.48 157.54 46.63 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.23 -1.159 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.13 157.24 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 CA-C-O 121.87 0.843 . . . . 0.0 111.636 -177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' GLN . 96.0 m-20 -91.48 20.28 5.46 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 23.5 t80 62.31 -40.94 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 122.134 -0.354 . . . . 0.0 111.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.532 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.04 -29.91 67.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.462 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 33.8 mt-10 -68.54 -40.67 80.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.764 -1.21 . . . . 0.0 108.966 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -67.22 -43.6 81.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.839 -0.538 . . . . 0.0 112.233 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG11 HG21 ' B' ' 83' ' ' VAL . 4.0 p -59.92 -39.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.553 -1.342 . . . . 0.0 110.11 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.8 -39.99 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.734 -1.229 . . . . 0.0 110.787 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.66 HD21 HG13 ' A' ' 57' ' ' ILE . 13.1 tp -62.68 -57.46 10.94 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.086 -1.009 . . . . 0.0 112.256 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.765 HG21 ' CE1' ' A' ' 74' ' ' PHE . 2.6 m -74.31 -21.0 17.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.662 -0.649 . . . . 0.0 110.513 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -69.15 -53.08 22.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.826 -1.171 . . . . 0.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.81 -40.47 75.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.946 -1.096 . . . . 0.0 111.214 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.64 -46.95 87.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.842 -1.161 . . . . 0.0 109.986 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.3 m -62.11 -40.04 94.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.412 -0.805 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' ALA . 50.6 t -60.19 -40.29 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.453 -0.78 . . . . 0.0 109.453 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.82 87.1 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.617 -0.677 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.13 -42.09 94.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.247 -0.908 . . . . 0.0 110.9 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -61.56 -40.2 93.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.099 . . . . 0.0 110.107 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.259 -0.901 . . . . 0.0 108.79 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.5 -40.23 90.63 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.857 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -95.5 7.56 45.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.938 -1.101 . . . . 0.0 110.579 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -65.82 -34.57 78.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.052 -1.03 . . . . 0.0 109.958 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.78 -40.85 89.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.122 . . . . 0.0 110.185 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.54 -39.75 89.02 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.185 -0.947 . . . . 0.0 109.474 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.658 -179.53 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.009 0 N-CA-C 119.634 2.614 . . . . 0.0 119.634 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -106.23 21.01 18.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.284 -1.127 . . . . 0.0 109.017 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . 33.7 tt0 -59.9 -49.89 75.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 110.197 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 0.9 OUTLIER -72.22 -40.04 68.08 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.641 -1.287 . . . . 0.0 108.441 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.13 -40.03 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 10' ' ' THR . 20.1 m -60.79 -23.07 64.74 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.07 -35.23 76.29 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.742 -0.598 . . . . 0.0 110.916 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -73.48 -39.33 64.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.676 -1.265 . . . . 0.0 109.486 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 92.1 mt-10 -66.56 -39.57 88.57 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.626 0.727 . . . . 0.0 111.754 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.516 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.9 t -73.61 -51.02 18.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -175.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.516 ' N ' HG23 ' B' ' 10' ' ' THR . 2.5 pp -70.09 -25.55 63.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.179 -1.576 . . . . 0.0 108.699 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.84 -28.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.062 -1.024 . . . . 0.0 108.961 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.3 m-20 -73.39 -39.89 64.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.845 . . . . 0.0 109.586 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.404 HG13 HD22 ' B' ' 36' ' ' LEU . 1.2 t -70.6 -34.16 56.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.617 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.8 t80 -59.99 -42.29 93.89 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -85.65 -8.91 57.95 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.19 47.65 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.953 -1.092 . . . . 0.0 109.762 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -103.42 -37.96 7.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.299 -0.875 . . . . 0.0 110.85 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -56.33 -28.57 59.38 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.189 -0.944 . . . . 0.0 110.43 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.64 0.38 61.17 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -73.59 -31.13 63.41 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.547 -0.972 . . . . 0.0 109.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -95.27 -5.83 42.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 111.626 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 89.91 -11.83 69.36 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' B' ' 26' ' ' TYR . 98.5 m-20 -84.41 25.72 0.85 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' B' ' 23' ' ' GLY . 25.8 ttmt -43.1 -13.5 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.116 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.545 ' N ' ' O ' ' B' ' 24' ' ' ASP . 94.2 m-85 -89.87 -15.61 31.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.594 -1.316 . . . . 0.0 109.352 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -148.7 150.08 32.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.997 -1.064 . . . . 0.0 109.942 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -83.67 165.71 18.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.117 -0.989 . . . . 0.0 108.349 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p -136.18 165.14 26.43 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.715 -1.241 . . . . 0.0 110.616 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -60.06 -40.13 88.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.459 -0.776 . . . . 0.0 111.38 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.457 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 11.1 tmtt? -77.45 -31.49 53.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.58 -1.325 . . . . 0.0 110.441 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.19 -50.0 73.56 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.616 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.28 -33.98 72.22 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.639 -0.663 . . . . 0.0 111.451 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.6 tttm -60.28 -37.23 79.82 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.824 -1.172 . . . . 0.0 109.202 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.513 ' O ' HG23 ' B' ' 39' ' ' THR . 70.1 m-20 -66.55 -40.07 88.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.133 -0.979 . . . . 0.0 110.13 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.404 HD22 HG13 ' B' ' 14' ' ' VAL . 64.3 mt -61.39 -40.22 93.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.193 -0.942 . . . . 0.0 110.573 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 42' ' ' SER . 22.7 mt -73.16 -40.31 64.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.911 -1.118 . . . . 0.0 110.331 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.507 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 28.1 mt-30 -70.29 -21.43 62.95 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.377 0.608 . . . . 0.0 109.621 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 35' ' ' ASP . 21.1 p -90.99 -52.84 4.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.284 -0.885 . . . . 0.0 112.7 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 6.7 mt-10 -109.98 -32.7 6.94 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.897 -1.127 . . . . 0.0 112.723 -176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 8' ' ' MET . 10.0 mp -111.35 26.48 10.63 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.982 -1.074 . . . . 0.0 109.907 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 37' ' ' LEU . 59.7 p -60.97 -39.92 91.39 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.131 -0.981 . . . . 0.0 111.22 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 95.2 p -67.16 -40.04 86.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.968 -1.082 . . . . 0.0 111.716 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.84 -69.02 0.55 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.625 -1.297 . . . . 0.0 109.907 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 47' ' ' VAL . 11.1 mp -80.7 98.59 7.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.403 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 82.1 m-20 -62.65 80.44 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.608 0.718 . . . . 0.0 110.144 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -93.39 -15.1 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.496 -0.753 . . . . 0.0 109.71 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -80.1 -69.15 0.61 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.715 -1.241 . . . . 0.0 112.369 -178.029 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.23 -50.7 70.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.109 -0.994 . . . . 0.0 110.468 -176.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -93.15 77.77 4.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.225 -1.547 . . . . 0.0 109.289 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.506 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.98 -20.84 26.07 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 64.4 t0 -70.07 -26.13 63.86 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.16 74.58 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -75.03 -30.42 23.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.885 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -70.7 -38.98 73.73 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.942 -1.099 . . . . 0.0 109.156 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' HZ2' ' B' ' 56' ' ' LYS . 9.9 mtmp? -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.068 0.937 . . . . 0.0 110.068 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.648 HG13 HD21 ' B' ' 77' ' ' LEU . 0.8 OUTLIER -64.88 -38.93 84.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.488 ' O ' ' N ' ' B' ' 62' ' ' ASP . 89.7 mmm -71.84 -30.02 65.02 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.138 -0.976 . . . . 0.0 109.726 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -55.77 -40.36 72.52 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.22 -34.7 78.69 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -81.65 -70.12 0.56 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.543 0.687 . . . . 0.0 110.705 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 58' ' ' MET . 91.7 m-20 -74.62 35.96 0.1 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.483 -0.76 . . . . 0.0 109.501 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 89.2 tt0 -55.09 -21.78 13.95 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.76 -4.46 59.07 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.414 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.51 63.04 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.8 p-10 -92.02 -3.58 55.63 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.172 -1.193 . . . . 0.0 109.891 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.65 9.57 0.29 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.7 mt-10 -135.44 157.12 47.68 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 121.317 -1.108 . . . . 0.0 108.181 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -125.92 157.46 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-O 121.936 0.874 . . . . 0.0 111.657 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' GLN . 96.2 m-20 -91.71 20.0 5.93 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 22.8 t80 62.3 -40.88 0.16 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 122.233 -0.292 . . . . 0.0 111.255 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 0.0 OUTLIER -70.13 -29.96 67.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.376 -1.453 . . . . 0.0 109.299 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 32.5 mt-10 -68.32 -40.66 81.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.689 -1.257 . . . . 0.0 108.948 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.747 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.2 t80 -67.43 -43.25 81.65 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.779 -0.576 . . . . 0.0 112.542 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.506 HG11 HG21 ' A' ' 83' ' ' VAL . 4.0 p -60.07 -39.93 81.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 120.515 -1.366 . . . . 0.0 109.845 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t -69.67 -40.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.864 -1.147 . . . . 0.0 110.765 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.648 HD21 HG13 ' B' ' 57' ' ' ILE . 13.1 tp -62.46 -57.63 10.55 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.108 -0.995 . . . . 0.0 112.243 -177.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.747 HG21 ' CE2' ' B' ' 74' ' ' PHE . 3.1 m -74.78 -20.58 16.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 121.617 -0.677 . . . . 0.0 110.527 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.549 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.06 -53.04 22.51 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.07 76.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.053 -1.029 . . . . 0.0 111.218 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.65 -47.54 85.79 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.935 -1.103 . . . . 0.0 110.176 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 63.1 m -61.9 -40.1 94.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.399 -0.813 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 75' ' ' VAL . 46.7 t -60.17 -40.09 82.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.871 0.843 . . . . 0.0 109.622 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.67 87.06 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.411 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.36 -41.06 92.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.364 -0.835 . . . . 0.0 110.703 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.931 -1.106 . . . . 0.0 110.069 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.75 -40.07 91.1 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.58 -40.3 91.21 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.627 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -95.48 7.61 45.71 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.017 -1.052 . . . . 0.0 110.653 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -65.7 -34.48 78.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.934 -1.104 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.14 -40.8 91.06 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.987 -1.071 . . . . 0.0 110.093 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.42 -39.88 89.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.374 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.596 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.876 2.71 . . . . 0.0 119.876 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -105.48 19.82 19.93 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.201 -1.176 . . . . 0.0 108.924 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 53.4 mt-10 -60.01 -49.93 75.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 109.396 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.662 HD22 HD11 ' B' ' 41' ' ' LEU . 2.0 tt -71.94 -39.96 69.07 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.77 -39.96 95.8 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.1 m -62.54 -22.48 66.36 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.23 -37.19 80.56 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -80.97 -33.9 33.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.01 -1.056 . . . . 0.0 110.346 -179.24 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -71.13 -30.27 66.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.261 -0.899 . . . . 0.0 110.146 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.563 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 9.0 t -80.09 -51.69 8.71 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.12 -0.987 . . . . 0.0 111.499 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -62.82 -28.49 70.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.358 -1.464 . . . . 0.0 109.174 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.49 -34.43 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.543 -1.348 . . . . 0.0 110.206 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -70.45 -44.91 66.85 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.271 -0.893 . . . . 0.0 110.852 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 15' ' ' PHE . 29.5 m -69.41 -32.86 54.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 71' ' ' PHE . 64.4 t80 -62.04 -39.87 93.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.757 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -88.91 -10.09 49.13 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.0 55.39 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -102.63 -27.89 12.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.513 -0.742 . . . . 0.0 111.246 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -60.82 -40.07 91.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.966 -1.084 . . . . 0.0 111.459 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.52 6.29 70.92 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.62 -29.79 63.78 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.224 -1.162 . . . . 0.0 108.461 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -92.79 -2.08 56.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.651 -0.656 . . . . 0.0 110.759 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.49 -7.55 78.59 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -91.02 38.28 0.95 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.397 -1.06 . . . . 0.0 108.533 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.62 -16.92 18.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.602 -0.686 . . . . 0.0 110.677 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -66.99 -19.48 65.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.618 -1.301 . . . . 0.0 109.206 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -163.19 169.82 18.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.218 -0.926 . . . . 0.0 109.733 177.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 33' ' ' LEU . 48.5 tp -78.87 161.41 26.76 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 m -132.38 163.25 29.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.91 -1.119 . . . . 0.0 109.922 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 3.7 tmtt? -59.53 -40.5 87.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.543 -0.723 . . . . 0.0 110.789 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.65 -31.42 61.95 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.951 -1.093 . . . . 0.0 110.168 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.79 -44.95 79.94 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.492 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 pp -69.97 -30.02 67.28 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.025 -1.047 . . . . 0.0 109.627 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 48.3 tptt -59.79 -40.13 87.24 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.638 -0.664 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 39' ' ' THR . 94.2 m-20 -68.91 -40.05 79.32 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.733 -0.605 . . . . 0.0 111.669 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.8 -40.51 83.87 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.222 -0.924 . . . . 0.0 111.869 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.93 -43.29 55.02 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.604 -1.31 . . . . 0.0 110.746 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.475 HE21 ' C ' ' A' ' 34' ' ' LYS . 16.6 pt20 -68.95 -25.17 64.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.359 -0.838 . . . . 0.0 109.57 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.9 p -73.02 -55.92 5.84 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 121.021 -1.049 . . . . 0.0 111.348 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.3 mt-10 -113.55 -24.62 9.15 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.991 -1.068 . . . . 0.0 113.259 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.671 HD11 HD22 ' B' ' 4' ' ' LEU . 6.6 mp -110.88 21.62 16.27 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.688 -1.258 . . . . 0.0 111.329 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -59.25 -49.37 78.1 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.713 -1.242 . . . . 0.0 110.761 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -61.79 -40.23 94.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.147 -0.971 . . . . 0.0 111.661 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -79.86 -69.97 0.55 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.682 -1.261 . . . . 0.0 109.998 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 47' ' ' VAL . 9.8 mp -81.54 96.58 7.49 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.11 138.81 54.02 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 118.561 -1.256 . . . . 0.0 107.628 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -161.7 -52.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.026 -1.046 . . . . 0.0 110.441 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' H ' HG13 ' A' ' 47' ' ' VAL . 9.9 pt20 -60.04 -42.95 95.53 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.663 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -72.98 -39.44 66.11 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.899 -1.125 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -101.46 79.29 1.95 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.133 -0.979 . . . . 0.0 109.483 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -57.14 -22.2 38.25 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 108.467 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 18.5 p-10 -72.8 -25.68 61.24 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.51 78.6 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 121.901 -0.499 . . . . 0.0 109.749 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.8 p -76.72 -30.06 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.558 -1.257 . . . . 0.0 109.266 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -65.35 -40.15 93.27 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 109.176 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -70.08 -40.06 75.23 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.221 1.01 . . . . 0.0 110.64 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.93 84.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.636 -178.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.568 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.3 ptm -81.79 -26.98 33.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.16 -0.962 . . . . 0.0 110.442 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -58.17 -42.29 85.71 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.045 -1.034 . . . . 0.0 109.484 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.16 -39.93 91.97 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 63' ' ' GLU . 4.3 mp -83.62 -69.63 0.62 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.428 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.3 m-20 -67.68 39.29 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.199 -0.938 . . . . 0.0 109.458 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 61' ' ' LEU . 17.6 pt-20 -58.14 -8.58 1.12 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 62' ' ' ASP . 23.9 m120 -86.75 -3.08 59.01 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.26 0.552 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.39 28.63 73.84 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 68' ' ' GLU . 50.2 p-10 -88.8 -2.61 58.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.993 . . . . 0.0 109.791 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.43 6.3 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 66' ' ' ASP . 93.2 mt-10 -131.98 125.75 32.31 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.184 -1.186 . . . . 0.0 108.766 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.94 142.93 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.855 . . . . 0.0 109.138 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 65.5 t0 -62.13 -48.22 81.08 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.789 -1.194 . . . . 0.0 110.879 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CB ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER 146.06 -60.81 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.27 -35.09 74.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -42.52 95.8 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 109.1 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -66.76 -49.47 65.83 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.38 -0.825 . . . . 0.0 113.118 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -60.22 -39.82 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.027 -1.045 . . . . 0.0 112.039 -176.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.65 -40.71 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.485 -1.384 . . . . 0.0 110.982 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.15 -52.94 62.74 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.085 -1.009 . . . . 0.0 111.942 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.98 -20.36 14.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.434 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -69.56 -55.46 10.08 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.147 -0.971 . . . . 0.0 110.78 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.01 82.08 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.056 -1.028 . . . . 0.0 111.207 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.19 -41.23 99.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.146 . . . . 0.0 109.22 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -61.14 -40.49 94.05 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.246 -0.909 . . . . 0.0 109.121 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.84 -40.48 82.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 121.616 0.722 . . . . 0.0 109.759 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.04 86.54 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.566 -0.709 . . . . 0.0 110.255 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.7 -39.48 84.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.047 . . . . 0.0 109.152 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.86 -39.62 85.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.774 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -62.65 -36.49 83.01 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.213 -0.929 . . . . 0.0 109.435 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.91 -40.61 89.4 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 0.0 110.301 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.19 -28.96 65.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.888 -1.133 . . . . 0.0 108.886 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.74 -42.66 97.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.462 -0.774 . . . . 0.0 109.669 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -40.02 92.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.024 -1.048 . . . . 0.0 109.079 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.05 -39.76 87.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.3 -0.875 . . . . 0.0 108.927 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.435 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.494 2.558 . . . . 0.0 119.494 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.4 ' O ' ' N ' ' B' ' 6' ' ' THR . 50.7 m -105.38 19.93 19.74 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.083 -1.246 . . . . 0.0 109.173 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 45.8 mt-10 -60.16 -49.71 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.44 -0.788 . . . . 0.0 109.301 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 41' ' ' LEU . 2.0 tt -71.86 -39.99 69.29 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.65 -40.19 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 2' ' ' SER . 22.0 m -62.45 -22.65 66.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.17 -37.06 80.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.437 -0.789 . . . . 0.0 110.101 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -81.13 -33.21 33.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.881 -1.137 . . . . 0.0 110.437 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' B' ' 9' ' ' GLU . 0.2 OUTLIER -71.77 -30.68 65.82 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.081 -178.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' B' ' 11' ' ' LEU . 8.9 t -80.0 -51.91 8.47 Favored 'General case' 0 C--O 1.202 -1.411 0 O-C-N 121.17 -0.956 . . . . 0.0 111.568 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' B' ' 10' ' ' THR . 2.1 pp -62.43 -28.26 69.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.274 -1.517 . . . . 0.0 109.118 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.97 -33.56 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 120.584 -1.323 . . . . 0.0 110.238 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -71.26 -44.47 65.2 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.095 -1.003 . . . . 0.0 110.796 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 29.7 m -69.5 -32.44 52.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.554 ' CZ ' ' CD1' ' B' ' 71' ' ' PHE . 65.8 t80 -62.1 -40.05 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.895 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -89.4 -9.21 51.14 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.49 -39.95 51.67 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.443 -0.786 . . . . 0.0 109.183 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -102.82 -27.78 12.46 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.431 -0.793 . . . . 0.0 111.372 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -60.21 -40.17 89.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.134 -0.979 . . . . 0.0 111.366 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.78 6.22 69.95 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -72.63 -29.72 63.71 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.434 -1.039 . . . . 0.0 108.637 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -92.87 -2.09 56.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.696 -0.627 . . . . 0.0 110.723 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.34 -7.72 77.46 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -90.72 38.34 0.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.413 -1.051 . . . . 0.0 108.407 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -59.08 -16.22 18.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.566 -0.709 . . . . 0.0 110.591 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.53 -19.34 65.28 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.73 -1.231 . . . . 0.0 109.031 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -163.45 169.78 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.204 -0.935 . . . . 0.0 109.761 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 33' ' ' LEU . 47.9 tp -78.92 161.41 26.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.9 m -131.74 164.11 26.71 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.105 -0.997 . . . . 0.0 109.965 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' B' ' 30' ' ' LYS . 3.5 tmtt? -59.92 -40.79 90.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.606 -0.684 . . . . 0.0 110.576 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -74.8 -31.78 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.888 -1.133 . . . . 0.0 110.349 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.54 -45.13 80.45 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.514 -0.741 . . . . 0.0 111.41 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.51 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.82 -30.01 67.42 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.91 -1.119 . . . . 0.0 109.713 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.493 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 50.4 tptt -59.95 -39.74 86.63 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.584 ' O ' HG23 ' B' ' 39' ' ' THR . 94.3 m-20 -69.21 -39.68 78.44 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.737 -0.602 . . . . 0.0 111.841 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.25 -40.01 82.1 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.264 -0.898 . . . . 0.0 111.883 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -75.52 -43.31 49.61 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.688 -1.257 . . . . 0.0 110.628 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.488 HE21 ' C ' ' B' ' 34' ' ' LYS . 17.0 pt20 -68.77 -25.01 64.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.311 -0.868 . . . . 0.0 109.542 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.1 p -72.96 -56.52 5.04 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.377 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.2 mt-10 -113.04 -24.86 9.24 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.016 -1.053 . . . . 0.0 113.316 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 4' ' ' LEU . 6.6 mp -110.68 22.3 15.56 Favored 'General case' 0 N--CA 1.516 2.835 0 O-C-N 120.567 -1.333 . . . . 0.0 111.167 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.3 p -59.94 -49.34 78.07 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.682 -1.261 . . . . 0.0 110.777 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -61.47 -40.13 93.41 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.014 -1.053 . . . . 0.0 111.663 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.02 -69.9 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 109.931 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.4 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.0 mp -81.85 96.8 7.74 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.33 138.74 54.5 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 118.551 -1.26 . . . . 0.0 107.722 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.549 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.6 p -161.5 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.012 -1.055 . . . . 0.0 110.403 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.549 ' H ' HG13 ' B' ' 47' ' ' VAL . 10.0 pt20 -60.25 -42.85 96.2 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.683 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -73.23 -39.09 65.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.913 -1.117 . . . . 0.0 109.605 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -101.91 79.76 1.94 Allowed 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.16 0.981 . . . . 0.0 109.334 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.528 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -57.57 -22.74 46.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 18.5 p-10 -72.01 -26.01 62.05 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.08 83.02 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.5 p -75.59 -30.18 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.166 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.21 -40.0 93.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.839 -1.163 . . . . 0.0 109.288 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -70.7 -39.83 73.22 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.164 0.983 . . . . 0.0 110.385 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -40.0 84.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.42 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.559 ' O ' ' N ' ' B' ' 62' ' ' ASP . 27.3 ptm -81.76 -27.19 33.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 110.424 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.81 -42.92 85.25 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.966 -1.084 . . . . 0.0 109.561 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' B' ' 63' ' ' GLU . 4.1 mp -84.0 -69.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.521 -0.737 . . . . 0.0 109.44 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -67.85 39.38 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.134 -0.979 . . . . 0.0 109.408 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.6 pt-20 -57.99 -8.83 1.12 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 62' ' ' ASP . 23.2 m120 -86.45 -3.12 58.95 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.866 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.94 27.5 73.42 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.7 p-10 -88.24 -3.01 58.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.512 -0.993 . . . . 0.0 109.961 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.49 6.39 0.18 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 66' ' ' ASP . 93.0 mt-10 -131.61 125.42 32.18 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.249 -1.147 . . . . 0.0 108.74 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.2 t -93.9 142.71 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.427 -0.796 . . . . 0.0 109.036 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 65.5 t0 -61.96 -48.27 81.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.801 -1.187 . . . . 0.0 110.926 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CD1' ' CZ ' ' B' ' 15' ' ' PHE . 0.9 OUTLIER 146.01 -61.08 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.86 -35.16 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' B' ' 73' ' ' GLU . 0.6 OUTLIER -60.19 -42.67 95.55 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.196 -0.94 . . . . 0.0 109.2 -179.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -66.48 -49.9 65.08 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 4.0 p -60.19 -40.13 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.08 -1.013 . . . . 0.0 111.806 -176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -41.62 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.837 -1.165 . . . . 0.0 110.875 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.21 -52.42 64.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.172 -0.955 . . . . 0.0 112.191 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.32 -20.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.443 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -69.68 -55.39 10.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 110.766 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.96 81.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.959 -1.088 . . . . 0.0 111.275 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.58 -42.0 99.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.901 -1.124 . . . . 0.0 109.132 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -61.16 -40.17 92.86 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.351 -0.843 . . . . 0.0 109.22 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.9 t -60.16 -40.12 82.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.95 86.18 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.62 -0.675 . . . . 0.0 110.496 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.83 -39.9 86.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.981 -1.075 . . . . 0.0 109.083 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.64 -39.71 85.26 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.65 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.24 -36.99 83.7 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.0 109.497 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -59.8 -40.04 87.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.162 -0.962 . . . . 0.0 110.435 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -70.65 -29.17 65.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.8 -1.187 . . . . 0.0 108.654 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.373 -0.829 . . . . 0.0 109.709 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.04 -39.99 91.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.954 -1.091 . . . . 0.0 109.141 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -60.32 -39.69 87.91 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 108.928 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.632 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.575 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.46 2.544 . . . . 0.0 119.46 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.0 p -72.75 24.28 0.06 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.162 -1.199 . . . . 0.0 108.954 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 1' ' ' GLY . 53.2 mt-10 -60.17 -48.46 81.64 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' B' ' 41' ' ' LEU . 51.2 tp -69.91 -40.0 75.83 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.94 -39.72 87.36 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 2' ' ' SER . 16.8 m -63.75 -22.22 66.8 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -68.42 -38.64 81.41 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 110.186 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -81.03 -30.83 34.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.017 -1.052 . . . . 0.0 110.413 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.82 -30.39 62.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.287 -0.883 . . . . 0.0 110.212 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.7 t -79.47 -50.81 10.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.391 -0.818 . . . . 0.0 111.61 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.569 ' N ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -60.35 -30.67 69.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.366 -1.459 . . . . 0.0 110.552 -178.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -73.4 -27.88 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 119.914 -1.742 . . . . 0.0 110.336 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.69 -46.52 30.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.335 -0.853 . . . . 0.0 110.575 -177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -66.13 -32.92 60.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.0 t80 -60.05 -43.94 95.04 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.036 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -87.56 -4.19 58.97 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.8 -40.01 25.72 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.302 -0.874 . . . . 0.0 109.416 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -104.12 -23.35 13.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.676 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 66.3 m -68.19 -26.09 65.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.605 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 2.71 59.63 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -71.05 -34.11 70.92 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -94.19 -5.7 46.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.556 -0.715 . . . . 0.0 110.814 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.01 75.24 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -87.56 42.83 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.29 -1.124 . . . . 0.0 108.269 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -61.17 -7.85 3.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.882 -0.511 . . . . 0.0 111.341 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -85.04 -13.02 51.81 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.637 -1.29 . . . . 0.0 109.424 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -160.09 160.33 32.95 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.329 -0.857 . . . . 0.0 109.088 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -84.59 164.84 18.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.001 -1.062 . . . . 0.0 108.419 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -135.17 168.56 18.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.861 -1.15 . . . . 0.0 109.82 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -59.68 -41.58 91.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.259 -0.901 . . . . 0.0 112.233 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.0 -31.62 44.85 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.576 -1.328 . . . . 0.0 110.777 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 95.9 mt-10 -61.14 -45.91 92.72 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.378 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -69.95 -31.51 69.28 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.198 -0.939 . . . . 0.0 110.762 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -61.35 -40.06 92.87 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.98 -1.075 . . . . 0.0 110.047 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 39' ' ' THR . 2.9 p30 -66.55 -39.7 88.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.882 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 88.8 mt -60.61 -41.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.353 -0.842 . . . . 0.0 111.679 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.36 -42.62 35.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.67 -1.269 . . . . 0.0 111.538 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' OG ' ' A' ' 42' ' ' SER . 13.5 pt20 -72.1 -22.06 61.4 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 121.836 0.827 . . . . 0.0 109.206 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 35' ' ' ASP . 2.3 p -70.08 -57.31 5.12 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 120.911 -1.118 . . . . 0.0 109.685 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 41' ' ' LEU . 15.2 mm-40 -113.05 -20.24 11.58 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.073 -1.017 . . . . 0.0 113.171 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 ' HG ' ' B' ' 4' ' ' LEU . 6.5 mp -111.3 28.7 8.48 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 120.481 -1.387 . . . . 0.0 111.399 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 53.5 m -60.02 -40.94 91.03 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.856 -1.153 . . . . 0.0 111.425 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -70.87 -41.29 71.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.872 -1.143 . . . . 0.0 112.131 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -80.0 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.755 -1.216 . . . . 0.0 110.529 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 47' ' ' VAL . 10.9 mp -83.43 94.38 7.98 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.1 129.3 40.65 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 118.234 -1.386 . . . . 0.0 107.964 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG13 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -144.08 -76.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.469 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.699 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.2 pt20 -43.27 -35.84 1.6 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.709 -0.62 . . . . 0.0 110.474 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -73.13 -44.62 59.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.617 -1.302 . . . . 0.0 108.387 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 1.6 p30 -104.36 88.3 2.94 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.024 0.916 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.35 -19.24 54.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.92 -22.43 45.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.732 -1.23 . . . . 0.0 108.365 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.61 80.13 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' ALA . 3.6 p -70.53 -30.77 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.467 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.62 -40.09 92.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.084 -1.01 . . . . 0.0 108.795 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.51 -39.97 77.25 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-N 115.069 -0.968 . . . . 0.0 113.393 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -76.42 -29.29 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttp -74.46 -31.63 62.3 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -49.98 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.25 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.74 -39.19 93.34 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.902 0.858 . . . . 0.0 108.713 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 74' ' ' PHE . 4.1 mp -68.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.671 0.748 . . . . 0.0 109.451 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' HG22 ' A' ' 69' ' ' VAL . 97.3 m-20 -83.4 42.78 0.84 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -49.32 -19.45 0.5 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 62' ' ' ASP . 65.1 t30 -78.63 -9.15 59.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.722 -0.611 . . . . 0.0 109.942 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.4 32.74 71.97 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 68' ' ' GLU . 51.3 p-10 -90.02 -0.09 57.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.189 -1.183 . . . . 0.0 110.586 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.96 4.42 1.0 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 66' ' ' ASP . 60.5 mm-40 -129.43 146.8 51.23 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 ' OD1' ' A' ' 62' ' ' ASP . 40.5 t -119.02 138.98 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 CA-C-O 121.45 0.643 . . . . 0.0 110.353 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 72' ' ' GLN . 9.3 t70 -78.24 14.98 1.03 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.05 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 68.4 t80 62.42 -39.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.989 -0.444 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.6 mt-30 -66.38 -39.94 89.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.494 -1.379 . . . . 0.0 108.105 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -60.65 -39.96 90.26 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.206 1.003 . . . . 0.0 108.619 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' A' ' 78' ' ' VAL . 84.1 t80 -60.08 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.331 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 54.1 t -60.01 -39.72 81.07 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 111.178 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.95 -42.89 98.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 O-C-N 119.874 -1.766 . . . . 0.0 111.736 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.68 -58.31 3.36 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.829 -1.169 . . . . 0.0 112.575 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.1 m -72.24 -28.09 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.608 -1.307 . . . . 0.0 112.782 -177.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -71.78 -48.25 47.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.54 -1.35 . . . . 0.0 109.416 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.61 90.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.941 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -48.44 81.69 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.112 -0.993 . . . . 0.0 110.473 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -59.96 -40.05 87.73 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.991 -1.068 . . . . 0.0 110.31 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.0 -43.79 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.399 -0.813 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.44 82.67 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.06 -39.91 87.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.99 -1.069 . . . . 0.0 109.76 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.0 110.191 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.11 -36.76 82.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.009 -1.057 . . . . 0.0 109.704 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.02 -40.01 87.83 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -85.0 -19.84 31.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.983 -1.073 . . . . 0.0 110.409 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -66.77 -41.08 88.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.976 -1.078 . . . . 0.0 109.743 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -70.4 -24.84 63.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.079 -1.013 . . . . 0.0 109.9 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 93' ' ' SER . 13.1 t-20 -59.92 -40.05 87.54 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.341 -0.85 . . . . 0.0 108.943 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.573 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.439 2.536 . . . . 0.0 119.439 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.9 p -72.78 24.35 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.129 -1.219 . . . . 0.0 109.064 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.573 ' H ' ' C ' ' B' ' 1' ' ' GLY . 57.3 mt-10 -60.09 -48.86 79.96 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 51.6 tp -69.64 -40.0 76.78 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.95 -39.54 87.29 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 10' ' ' THR . 17.5 m -63.84 -22.39 66.89 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.09 -38.91 82.87 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.653 0.739 . . . . 0.0 110.233 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -81.09 -30.65 34.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.021 -1.049 . . . . 0.0 110.475 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.01 -30.46 62.47 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 110.195 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.0 t -79.24 -51.26 9.71 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.381 -0.824 . . . . 0.0 111.691 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.567 ' N ' HG23 ' B' ' 10' ' ' THR . 0.7 OUTLIER -60.26 -30.39 69.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.373 -1.454 . . . . 0.0 110.604 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 pt -73.7 -27.49 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 119.9 -1.75 . . . . 0.0 110.447 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -76.37 -46.03 29.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.092 -1.005 . . . . 0.0 110.586 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.2 m -65.97 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 71' ' ' PHE . 7.9 t80 -60.11 -44.03 95.17 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.927 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -87.77 -3.28 58.96 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.03 -39.42 23.54 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.332 -0.855 . . . . 0.0 109.431 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -104.32 -23.46 13.21 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.395 -0.815 . . . . 0.0 110.557 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -68.22 -26.2 65.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.182 -0.949 . . . . 0.0 109.544 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.1 2.75 59.85 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -71.08 -34.15 70.89 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.612 -0.934 . . . . 0.0 108.52 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -94.15 -5.78 46.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.617 -0.677 . . . . 0.0 110.774 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.03 75.27 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.42 42.83 1.06 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.374 -1.074 . . . . 0.0 108.263 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -61.06 -8.25 3.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.297 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -84.66 -13.39 51.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.672 -1.268 . . . . 0.0 109.475 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' B' ' 68' ' ' GLU . 11.9 ttpp -160.11 159.99 32.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.29 -0.881 . . . . 0.0 108.93 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.0 tp -84.24 164.88 18.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.064 -1.023 . . . . 0.0 108.587 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -134.38 169.3 17.44 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.917 -1.115 . . . . 0.0 110.037 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -60.03 -41.91 93.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.342 -0.849 . . . . 0.0 112.132 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.18 -31.62 43.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.686 -1.259 . . . . 0.0 110.755 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 95.6 mt-10 -61.41 -45.56 93.82 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.605 -0.838 . . . . 0.0 110.367 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.568 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.98 -31.65 69.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.294 -0.879 . . . . 0.0 110.787 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -61.33 -40.0 92.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.998 -1.064 . . . . 0.0 110.072 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 2.9 p30 -67.3 -37.85 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.0 110.08 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.521 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 90.3 mt -62.28 -40.6 96.79 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.345 -0.847 . . . . 0.0 111.531 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.23 -43.32 33.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.749 -1.219 . . . . 0.0 111.446 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' B' ' 42' ' ' SER . 13.5 pt20 -71.65 -22.28 61.7 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.817 0.818 . . . . 0.0 109.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 2.3 p -69.7 -57.51 5.05 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 120.768 -1.208 . . . . 0.0 109.72 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' B' ' 41' ' ' LEU . 16.0 mm-40 -112.96 -20.44 11.55 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.047 -1.033 . . . . 0.0 113.176 -178.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 40' ' ' GLU . 6.5 mp -111.22 28.65 8.52 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 120.498 -1.376 . . . . 0.0 111.399 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 53.7 m -59.98 -41.06 91.18 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.845 -1.16 . . . . 0.0 111.293 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.5 m -70.42 -41.54 72.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.883 -1.136 . . . . 0.0 112.186 -177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -80.02 -69.93 0.55 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.727 -1.233 . . . . 0.0 110.544 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' HG12 ' B' ' 47' ' ' VAL . 10.8 mp -83.59 94.85 8.17 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.27 129.37 40.95 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 118.206 -1.398 . . . . 0.0 107.901 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.684 HG13 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -144.18 -76.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.174 -0.954 . . . . 0.0 109.54 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.684 ' H ' HG13 ' B' ' 47' ' ' VAL . 5.7 pt20 -43.56 -35.79 1.84 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.494 -178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -72.96 -44.62 60.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.737 -1.227 . . . . 0.0 108.509 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 1.5 p30 -104.24 87.86 2.85 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.011 0.91 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.451 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.97 -20.09 55.68 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.258 -0.901 . . . . 0.0 109.154 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -77.96 -23.27 48.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.784 -1.198 . . . . 0.0 108.479 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.01 84.09 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.451 HG12 ' O ' ' B' ' 51' ' ' ALA . 3.9 p -70.44 -30.41 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.158 -0.964 . . . . 0.0 109.569 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.01 -39.9 90.64 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.035 -1.041 . . . . 0.0 108.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.67 -40.09 76.62 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.225 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.414 ' O ' HD13 ' B' ' 61' ' ' LEU . 2.7 pt -76.59 -28.8 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.588 -1.32 . . . . 0.0 109.063 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttp -74.45 -31.69 62.34 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.51 -39.38 93.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 108.797 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 57' ' ' ILE . 3.7 mp -68.92 -60.0 2.67 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.709 0.766 . . . . 0.0 109.4 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.485 ' OD1' HG22 ' B' ' 69' ' ' VAL . 97.4 m-20 -83.71 43.0 0.88 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -49.54 -19.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.475 ' N ' ' C ' ' B' ' 62' ' ' ASP . 65.1 t30 -79.27 -8.88 59.38 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.715 -0.615 . . . . 0.0 109.747 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.03 33.0 73.55 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' B' ' 68' ' ' GLU . 50.9 p-10 -90.0 0.0 57.34 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.143 -1.21 . . . . 0.0 110.627 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.51 4.91 0.99 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 66' ' ' ASP . 60.1 mm-40 -129.49 147.01 51.26 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.517 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.2 t -119.09 139.16 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-O 121.508 0.671 . . . . 0.0 110.337 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' B' ' 72' ' ' GLN . 9.3 t70 -78.42 15.04 1.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.363 -0.835 . . . . 0.0 110.111 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.632 ' CD1' ' CD1' ' B' ' 15' ' ' PHE . 68.1 t80 62.45 -39.69 0.15 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 122.015 -0.428 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.6 mt-30 -65.93 -39.91 90.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.493 -1.38 . . . . 0.0 108.186 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -60.74 -39.98 90.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 122.166 0.984 . . . . 0.0 108.591 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.717 ' O ' HG22 ' B' ' 78' ' ' VAL . 84.6 t80 -60.13 -48.66 80.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.315 -178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 54.4 t -60.01 -40.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 O-C-N 121.006 -1.059 . . . . 0.0 111.035 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.51 -43.07 98.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 O-C-N 120.198 -1.564 . . . . 0.0 111.683 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -75.9 -58.41 3.3 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.827 -1.17 . . . . 0.0 112.675 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.717 HG22 ' O ' ' B' ' 74' ' ' PHE . 8.4 m -72.19 -27.87 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.637 -1.289 . . . . 0.0 112.818 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -71.92 -48.19 47.16 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.575 -1.328 . . . . 0.0 109.385 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.58 89.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.294 -0.879 . . . . 0.0 109.975 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.97 -48.51 81.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.153 -0.967 . . . . 0.0 110.328 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -39.98 87.71 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.954 -1.091 . . . . 0.0 110.423 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -43.89 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 110.211 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.4 82.76 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.517 -0.74 . . . . 0.0 110.339 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.119 -0.988 . . . . 0.0 109.795 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -40.09 87.98 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.171 -0.955 . . . . 0.0 110.243 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -67.13 -36.59 82.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.98 -1.075 . . . . 0.0 109.712 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.496 -0.752 . . . . 0.0 110.074 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -85.05 -19.83 31.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.881 -1.137 . . . . 0.0 110.411 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -66.72 -40.92 88.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.09 . . . . 0.0 109.867 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -70.64 -24.67 62.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.058 -1.026 . . . . 0.0 109.861 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' B' ' 93' ' ' SER . 13.1 t-20 -59.99 -40.02 87.74 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.946 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.081 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.727 2.651 . . . . 0.0 119.727 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 6' ' ' THR . 69.1 p -105.61 18.64 21.86 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.316 -1.108 . . . . 0.0 109.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 2.7 mm-40 -59.95 -47.55 85.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.164 -0.96 . . . . 0.0 108.689 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.59 -42.79 61.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.04 -40.08 94.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 2' ' ' SER . 17.7 m -67.27 -21.92 65.69 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.643 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.15 -40.08 78.43 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.315 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.4 mmm -80.57 -32.92 36.46 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 110.482 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -71.17 -33.92 70.45 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.5 -0.75 . . . . 0.0 110.292 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.691 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 6.1 t -77.58 -45.75 24.3 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 112.415 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 10' ' ' THR . 1.7 pp -66.13 -25.65 67.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.089 -1.632 . . . . 0.0 110.344 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 pt -78.53 -31.23 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.292 -1.505 . . . . 0.0 110.206 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.24 -41.25 67.04 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.34 -35.35 57.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' OG ' ' A' ' 19' ' ' SER . 42.7 t80 -59.98 -40.08 87.9 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.97 -10.87 52.17 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -39.98 63.19 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.432 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -101.84 -34.76 9.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.512 -0.743 . . . . 0.0 111.149 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 56.8 m -59.97 -39.47 85.76 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.161 -0.962 . . . . 0.0 110.741 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.9 9.45 75.4 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.11 -29.08 25.13 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.527 -0.984 . . . . 0.0 109.944 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.62 -6.95 35.51 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.208 -0.932 . . . . 0.0 111.301 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.41 52.96 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 106.889 -2.484 . . . . 0.0 106.889 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.8 t0 49.67 43.25 24.29 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.843 -1.387 . . . . 0.0 108.236 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -80.61 11.42 3.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.762 -0.586 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -56.8 -16.88 7.4 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -166.98 172.45 10.19 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 33' ' ' LEU . 32.7 tp -77.64 167.36 21.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.925 . . . . 0.0 108.614 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.545 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 5.2 p -134.33 165.01 26.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.974 -1.079 . . . . 0.0 110.021 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.94 -39.94 83.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.769 -0.582 . . . . 0.0 111.89 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -28.51 45.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.497 -1.377 . . . . 0.0 110.413 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 29' ' ' SER . 60.1 mt-10 -64.45 -50.09 68.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 110.534 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.3 pp -67.54 -35.45 79.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.835 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 60.3 tttm -60.42 -39.97 89.36 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.157 -0.964 . . . . 0.0 109.837 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 39' ' ' THR . 85.2 m-20 -64.97 -40.03 94.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.571 -0.706 . . . . 0.0 110.792 -179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.86 -39.98 94.41 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.247 -0.908 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.92 -44.16 56.03 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 120.827 -1.171 . . . . 0.0 111.423 -178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.458 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 3.3 pt20 -70.05 -21.75 63.14 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.329 -0.857 . . . . 0.0 109.601 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.1 p -77.75 -55.48 5.3 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 121.043 -1.035 . . . . 0.0 110.893 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.6 mt-10 -111.74 -28.0 8.28 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.193 -0.942 . . . . 0.0 112.775 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.5 mp -109.59 26.61 10.44 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 120.739 -1.225 . . . . 0.0 110.772 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 p -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.785 -1.197 . . . . 0.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 t -68.38 -40.01 81.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.102 -0.999 . . . . 0.0 111.164 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.52 -70.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.874 -1.141 . . . . 0.0 110.942 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -85.0 96.53 9.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 34.4 p-10 -59.81 94.52 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.229 -0.919 . . . . 0.0 109.634 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.38 -24.96 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.473 -0.767 . . . . 0.0 109.924 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -78.52 -62.41 1.7 Allowed 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.059 -1.025 . . . . 0.0 111.718 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -59.92 -42.54 94.17 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.207 -0.933 . . . . 0.0 110.682 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 81.8 m-20 -100.61 74.13 1.66 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.476 -1.39 . . . . 0.0 109.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -54.05 -18.67 3.84 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.922 -1.111 . . . . 0.0 108.171 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 17.2 p-10 -76.57 -21.46 55.62 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -66.19 -35.38 80.29 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -77.97 -26.18 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.785 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -69.9 -40.0 75.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.806 -1.183 . . . . 0.0 108.515 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -69.9 -39.94 75.92 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.104 0.954 . . . . 0.0 110.092 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.35 -40.07 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.561 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' ASP . 27.0 ptm -77.2 -27.03 53.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.836 -1.165 . . . . 0.0 109.679 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.14 -44.96 92.08 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.653 -0.655 . . . . 0.0 109.59 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.32 -39.9 94.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 108.279 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.5 mp -71.34 -61.14 1.88 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.798 0.808 . . . . 0.0 109.341 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' A' ' 64' ' ' ASN . 86.5 m-20 -82.79 40.97 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.4 -16.44 0.2 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 57.3 t30 -85.89 -6.71 59.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.773 -0.58 . . . . 0.0 110.015 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.04 31.72 69.51 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 56.9 p30 -89.09 -2.08 58.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -1.219 . . . . 0.0 110.138 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.26 4.73 1.97 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.1 mt-10 -133.04 132.96 42.43 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -100.77 146.84 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 121.837 0.827 . . . . 0.0 111.409 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.9 t0 -86.6 26.14 1.14 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 26.1 p90 53.36 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -60.06 -39.53 86.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 119.995 -1.691 . . . . 0.0 108.594 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -59.98 -40.03 87.75 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.057 -1.027 . . . . 0.0 108.844 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' ' 78' ' ' VAL . 65.3 t80 -61.57 -47.4 85.67 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -40.02 81.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 120.931 -1.106 . . . . 0.0 111.565 -176.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.16 -40.03 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.391 -1.443 . . . . 0.0 111.771 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.45 -57.26 6.11 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.69 -1.257 . . . . 0.0 111.589 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.4 m -70.97 -23.58 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.679 -1.263 . . . . 0.0 111.758 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.17 -45.75 66.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 109.585 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.94 86.41 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.4 -47.81 66.32 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.714 -1.242 . . . . 0.0 110.834 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.3 m -63.01 -40.53 98.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.917 -1.114 . . . . 0.0 110.755 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.0 t -61.6 -44.54 98.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.445 -0.784 . . . . 0.0 109.514 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.93 87.68 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.678 -0.639 . . . . 0.0 110.973 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.5 m -59.91 -39.95 87.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.117 -0.989 . . . . 0.0 109.738 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.25 -0.906 . . . . 0.0 110.447 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -66.18 -40.06 90.17 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.915 -1.116 . . . . 0.0 109.722 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -60.02 -39.99 87.72 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.614 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -80.01 -19.04 48.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.076 -1.015 . . . . 0.0 109.444 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -68.22 -44.42 75.78 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.159 -0.963 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.93 -37.64 75.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.651 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.69 -14.51 60.35 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.0 109.935 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.538 -179.607 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.534 2.574 . . . . 0.0 119.534 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' THR . 67.9 p -105.62 18.62 21.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.341 -1.094 . . . . 0.0 109.712 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 2.8 mm-40 -59.98 -47.38 86.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 108.526 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.536 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.47 -42.95 61.27 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.2 m -67.1 -21.8 65.84 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.691 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.1 -40.08 78.6 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.234 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.3 mmm -80.59 -32.96 36.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.032 -1.042 . . . . 0.0 110.457 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.23 -34.13 70.49 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.452 -0.78 . . . . 0.0 110.308 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.643 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 6.0 t -77.35 -46.18 23.69 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 112.38 -177.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' HG23 ' B' ' 10' ' ' THR . 1.8 pp -65.78 -25.45 67.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.044 -1.66 . . . . 0.0 110.349 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.0 pt -79.06 -30.52 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.264 -1.522 . . . . 0.0 110.311 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -73.14 -40.75 64.64 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.157 -0.965 . . . . 0.0 109.597 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.36 -35.37 57.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -86.97 -10.77 52.4 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.0 -40.0 63.24 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.337 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -102.0 -34.49 9.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.527 -0.733 . . . . 0.0 111.165 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.1 m -60.05 -39.81 87.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.198 -0.939 . . . . 0.0 110.632 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.77 9.69 75.17 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -85.48 -28.59 24.9 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.952 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.85 -6.67 35.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.192 -0.943 . . . . 0.0 111.291 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.04 -173.62 53.45 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 106.938 -2.465 . . . . 0.0 106.938 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.9 t0 49.89 43.2 25.07 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.843 -1.387 . . . . 0.0 108.161 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 11.43 3.71 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.822 -0.549 . . . . 0.0 110.893 -178.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -56.57 -17.67 9.27 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -166.67 171.88 11.15 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' B' ' 33' ' ' LEU . 31.8 tp -77.02 166.93 22.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.215 -0.928 . . . . 0.0 108.689 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.544 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 4.9 p -132.85 166.22 22.79 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.094 -1.004 . . . . 0.0 109.869 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -60.0 -39.95 87.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 111.809 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -28.48 44.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.532 -1.355 . . . . 0.0 110.482 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' B' ' 29' ' ' SER . 59.9 mt-10 -64.46 -50.22 68.37 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.401 -0.919 . . . . 0.0 110.53 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -67.46 -35.59 79.48 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.746 . . . . 0.0 110.772 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.433 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 59.6 tttm -60.14 -40.02 88.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.096 -1.003 . . . . 0.0 109.945 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.546 ' O ' HG23 ' B' ' 39' ' ' THR . 86.3 m-20 -64.76 -40.02 94.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.561 -0.712 . . . . 0.0 111.109 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.21 -40.01 93.56 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.268 -0.895 . . . . 0.0 110.879 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 mt -73.73 -44.16 57.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.745 -1.222 . . . . 0.0 111.499 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.433 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 3.3 pt20 -70.06 -21.7 63.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.267 -0.895 . . . . 0.0 109.608 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.546 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.2 p -77.77 -55.37 5.39 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 120.993 -1.067 . . . . 0.0 110.964 -178.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.9 mt-10 -111.75 -28.16 8.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.142 -0.973 . . . . 0.0 112.717 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.453 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.7 mp -109.54 26.37 10.72 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 120.699 -1.251 . . . . 0.0 110.744 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.6 p -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.86 -1.15 . . . . 0.0 110.678 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -68.2 -40.02 82.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.053 -1.029 . . . . 0.0 111.164 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.65 -70.25 0.52 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.917 -1.114 . . . . 0.0 110.899 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.9 96.49 9.36 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 34.3 p-10 -59.89 94.18 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.307 -0.871 . . . . 0.0 109.689 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -105.09 -25.0 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.425 -0.797 . . . . 0.0 109.953 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.43 -62.31 1.73 Allowed 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.144 -0.973 . . . . 0.0 111.671 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.11 -42.21 94.22 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 110.735 -177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.2 m-20 -100.76 73.74 1.61 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.593 -1.317 . . . . 0.0 109.611 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.549 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -53.73 -18.81 3.43 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.842 -1.161 . . . . 0.0 108.133 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 17.1 p-10 -76.42 -21.77 55.53 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.54 -36.35 83.55 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.549 HG12 ' O ' ' B' ' 51' ' ' ALA . 4.7 p -77.51 -26.11 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.27 -0.894 . . . . 0.0 109.956 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -69.86 -40.02 76.0 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.849 -1.157 . . . . 0.0 108.495 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -69.78 -40.12 76.23 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.033 0.92 . . . . 0.0 110.095 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.407 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.11 -40.01 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.446 ' O ' ' N ' ' B' ' 62' ' ' ASP . 26.5 ptm -77.21 -27.09 53.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.812 -1.18 . . . . 0.0 109.695 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -58.77 -45.28 90.16 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.657 -0.652 . . . . 0.0 109.453 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.13 -39.97 95.17 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.041 -1.037 . . . . 0.0 108.322 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.2 mp -71.49 -61.04 1.92 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.758 0.79 . . . . 0.0 109.346 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.46 ' C ' ' N ' ' B' ' 64' ' ' ASN . 87.5 m-20 -82.79 40.9 0.7 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -49.55 -16.13 0.2 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.46 ' N ' ' C ' ' B' ' 62' ' ' ASP . 57.0 t30 -86.09 -6.96 58.92 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.658 -0.651 . . . . 0.0 109.926 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.24 32.02 68.85 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' B' ' 68' ' ' GLU . 57.4 p-10 -89.33 -1.96 58.26 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.192 -1.181 . . . . 0.0 110.186 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.13 4.76 1.89 Allowed Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' B' ' 66' ' ' ASP . 97.1 mt-10 -132.95 132.99 42.62 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.405 -1.056 . . . . 0.0 108.155 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.02 146.41 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.88 0.847 . . . . 0.0 111.482 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 72' ' ' GLN . 22.3 t0 -86.19 25.84 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.679 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 23.2 p90 53.68 -47.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.6 tt0 -59.96 -39.55 86.0 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.041 -1.662 . . . . 0.0 108.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.9 -40.12 87.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.99 -1.069 . . . . 0.0 108.858 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 78' ' ' VAL . 65.1 t80 -61.58 -47.62 84.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -40.07 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.802 -1.186 . . . . 0.0 111.54 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.65 -40.03 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.715 -1.24 . . . . 0.0 111.724 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.9 -57.61 5.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.737 -1.227 . . . . 0.0 111.528 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.669 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.2 m -70.7 -23.3 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.727 -1.233 . . . . 0.0 111.755 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.46 -45.61 65.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.68 -1.262 . . . . 0.0 109.545 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.97 86.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.502 -0.749 . . . . 0.0 111.782 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.28 -48.0 66.17 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.757 -1.214 . . . . 0.0 110.792 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -62.84 -40.95 99.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.884 -1.135 . . . . 0.0 110.684 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 55.1 t -61.25 -44.64 98.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.288 -0.883 . . . . 0.0 109.545 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.694 -0.629 . . . . 0.0 111.026 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.84 -39.97 86.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.04 -1.037 . . . . 0.0 109.858 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.93 -40.01 87.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.333 -0.855 . . . . 0.0 110.407 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -66.15 -40.0 90.24 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.994 -1.066 . . . . 0.0 109.698 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -60.1 -39.92 87.87 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.138 -0.976 . . . . 0.0 110.722 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -80.07 -19.04 48.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.956 -1.09 . . . . 0.0 109.435 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -68.13 -44.41 76.14 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.035 . . . . 0.0 109.21 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.98 -37.74 75.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -75.61 -14.56 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.0 109.958 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.573 -179.558 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.513 ' HA2' ' OE2' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.911 0 N-CA-C 119.165 2.426 . . . . 0.0 119.165 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -96.77 30.67 2.57 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.394 -1.063 . . . . 0.0 109.045 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.692 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -60.0 -49.87 75.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 110.558 -179.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 62.3 tp -67.52 -47.85 68.76 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.42 -39.94 89.21 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.129 -0.982 . . . . 0.0 108.723 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m -62.56 -22.08 66.06 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.1 -35.66 76.71 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.166 -0.959 . . . . 0.0 110.173 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -38.07 48.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.993 -1.067 . . . . 0.0 109.975 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -69.78 -25.66 63.9 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.428 1.109 . . . . 0.0 109.168 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -72.79 -58.42 3.35 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.382 -177.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.66 -24.82 63.67 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.8 mt -73.52 -31.55 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.532 -1.355 . . . . 0.0 110.147 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -72.51 -43.73 63.19 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.475 -0.766 . . . . 0.0 110.716 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 m -74.13 -31.56 29.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 122.37 1.081 . . . . 0.0 108.591 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.89 -39.96 95.39 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.708 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -88.41 -11.4 46.19 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.62 63.88 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.255 -0.903 . . . . 0.0 108.953 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' ND1' HD21 ' A' ' 36' ' ' LEU . 77.8 m80 -98.03 -35.1 10.55 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.535 -0.728 . . . . 0.0 111.037 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -59.93 -39.34 85.17 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.336 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.82 43.01 1.76 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.22 -68.76 0.66 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.406 -1.056 . . . . 0.0 108.515 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -124.56 -8.88 7.41 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.264 -0.574 . . . . 0.0 112.406 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.68 -174.49 43.2 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 50.01 37.61 14.52 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -15.92 59.45 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.404 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 39.9 t80 -90.3 -8.49 50.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.837 -1.165 . . . . 0.0 109.622 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -168.67 172.97 7.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.017 -1.052 . . . . 0.0 109.504 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -79.18 165.28 23.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.94 -1.1 . . . . 0.0 109.356 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -133.16 162.38 31.91 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.153 -0.967 . . . . 0.0 110.026 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 33' ' ' LEU . 57.5 tttp -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.964 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -74.57 -31.52 62.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.78 -1.2 . . . . 0.0 110.245 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.9 -42.07 77.39 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.395 -0.816 . . . . 0.0 111.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -70.03 -34.74 73.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.084 -1.01 . . . . 0.0 111.059 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 33' ' ' LEU . 62.5 tttm -60.61 -36.51 78.77 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.911 -1.118 . . . . 0.0 109.556 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 39' ' ' THR . 95.7 m-20 -66.09 -40.64 90.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.274 -0.891 . . . . 0.0 110.45 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD21 ' ND1' ' A' ' 18' ' ' HIS . 54.2 mt -64.57 -39.97 94.7 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 111.689 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' SER . 50.4 mt -76.97 -41.8 41.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.586 -1.321 . . . . 0.0 111.468 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.15 -21.0 63.12 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.158 -0.964 . . . . 0.0 108.742 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.9 p -73.4 -59.01 2.91 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.491 -0.884 . . . . 0.0 110.824 -178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' C ' HD12 ' A' ' 41' ' ' LEU . 20.2 mm-40 -111.96 -29.41 7.65 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.947 -1.096 . . . . 0.0 112.133 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 40' ' ' GLU . 11.1 mp -109.42 29.07 7.89 Favored 'General case' 0 N--CA 1.517 2.885 0 O-C-N 120.944 -1.098 . . . . 0.0 110.798 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.9 p -59.92 -43.07 95.12 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.987 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.0 p -74.37 -31.76 62.51 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.823 -1.173 . . . . 0.0 111.038 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -79.98 -69.77 0.56 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.9 -1.125 . . . . 0.0 110.26 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -81.07 97.36 7.49 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 44.5 t0 -54.26 137.71 40.61 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.478 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 48' ' ' GLN . 1.5 p -164.88 -56.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.997 -1.064 . . . . 0.0 110.683 -178.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.575 ' H ' HG13 ' A' ' 47' ' ' VAL . 2.2 pt20 -60.0 -46.87 88.05 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.968 -177.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -70.75 -39.95 72.98 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.733 -1.229 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -105.52 82.92 1.87 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.463 1.125 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -59.81 -25.96 65.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.556 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.67 -23.24 62.47 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.595 -1.315 . . . . 0.0 107.688 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.54 -36.05 82.95 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.7 p -78.95 -25.97 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 119.296 -0.961 . . . . 0.0 110.433 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.97 -40.01 75.63 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.694 -1.254 . . . . 0.0 108.752 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -70.19 -40.02 74.88 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -65.33 -36.35 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-O 121.8 0.81 . . . . 0.0 108.871 -179.131 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 3.5 tmm? -80.51 -27.02 37.81 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -60.9 -41.91 97.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.587 -0.695 . . . . 0.0 109.946 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -69.42 -25.04 63.93 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 77' ' ' LEU . 4.9 mp -80.09 -71.07 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.833 0.825 . . . . 0.0 109.64 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 93.5 m-20 -74.64 41.79 0.16 Allowed 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' LEU . 88.3 tt0 -51.26 -17.53 0.73 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 62' ' ' ASP . 23.3 m120 -82.72 -8.34 59.6 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.224 0.535 . . . . 0.0 109.678 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.83 62.89 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 33.0 p-10 -87.82 -7.27 57.49 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.782 -1.422 . . . . 0.0 110.352 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.03 -4.09 1.86 Allowed Glycine 0 N--CA 1.501 3.017 0 O-C-N 120.865 -1.147 . . . . 0.0 110.534 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.7 mt-10 -123.99 136.4 54.27 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 71' ' ' PHE . 23.8 t -99.38 138.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 O-C-N 121.402 -0.811 . . . . 0.0 109.939 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.3 m-20 -74.16 28.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.606 -0.684 . . . . 0.0 110.373 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 22.7 p90 53.38 -48.19 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.653 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.5 tt0 -60.03 -40.07 88.1 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.451 -1.406 . . . . 0.0 108.994 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.97 -43.9 94.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.696 -1.252 . . . . 0.0 109.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.672 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.6 t80 -60.23 -49.72 76.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.609 -0.682 . . . . 0.0 112.099 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.05 -29.14 40.66 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 O-C-N 120.38 -1.45 . . . . 0.0 110.211 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.19 -55.93 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.531 -1.356 . . . . 0.0 113.324 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -70.55 -40.14 73.56 Favored 'General case' 0 N--CA 1.514 2.754 0 O-C-N 119.761 -1.837 . . . . 0.0 112.907 -176.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 74' ' ' PHE . 1.6 m -75.94 -27.2 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.058 -1.651 . . . . 0.0 110.931 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.85 73.72 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.613 -1.305 . . . . 0.0 109.251 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.36 68.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.375 -0.828 . . . . 0.0 110.207 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -69.45 -39.72 77.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.979 -1.076 . . . . 0.0 110.182 -179.046 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 78' ' ' VAL . 76.8 p -67.0 -44.91 79.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.033 -1.042 . . . . 0.0 111.818 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.7 p -69.15 -43.7 81.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.006 -1.059 . . . . 0.0 110.667 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.493 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.58 -42.92 99.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.0 111.115 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -60.04 -39.97 87.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.118 -0.989 . . . . 0.0 110.627 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 20.7 m120 -60.35 -40.09 89.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.915 -1.116 . . . . 0.0 110.262 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.46 -26.53 62.76 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.992 -1.067 . . . . 0.0 109.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.08 -40.08 88.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.058 -1.026 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -72.17 -17.85 61.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.891 . . . . 0.0 109.494 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -65.19 -34.5 78.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 110.367 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 92' ' ' ASN . 12.0 pt-20 -59.78 -38.97 83.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.985 -1.072 . . . . 0.0 109.813 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 93' ' ' SER . 64.3 t-20 -60.0 -39.38 85.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.35 -0.844 . . . . 0.0 109.066 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.4 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.257 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.492 ' HA2' ' OE2' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.948 0 N-CA-C 119.256 2.463 . . . . 0.0 119.256 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -96.22 30.63 2.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.344 -1.092 . . . . 0.0 109.235 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.682 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.6 OUTLIER -60.03 -49.82 76.16 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.392 -0.818 . . . . 0.0 110.569 -179.323 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 60.7 tp -67.32 -47.68 69.82 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.676 -1.265 . . . . 0.0 109.167 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.71 -40.01 90.67 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.964 . . . . 0.0 108.703 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m -62.46 -22.24 66.07 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.501 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -68.77 -35.98 77.74 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -37.82 47.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.954 -1.091 . . . . 0.0 109.896 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.84 -25.61 63.83 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 122.347 1.07 . . . . 0.0 109.019 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -72.8 -58.27 3.47 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.454 -177.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.93 -24.63 63.4 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.353 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -73.57 -31.61 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.68 -1.262 . . . . 0.0 110.108 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.82 -43.9 62.13 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.301 -0.874 . . . . 0.0 110.714 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 m -73.52 -32.0 34.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 CA-C-O 122.508 1.146 . . . . 0.0 108.557 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.65 -40.08 95.95 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.843 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.6 -10.63 48.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.47 62.44 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.165 -0.96 . . . . 0.0 109.0 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.449 ' ND1' HD21 ' B' ' 36' ' ' LEU . 77.7 m80 -98.01 -34.76 10.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.572 -0.705 . . . . 0.0 111.116 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -60.04 -39.21 85.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 0.0 110.442 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.21 43.42 1.67 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -81.7 -68.44 0.69 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.384 -1.068 . . . . 0.0 108.521 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -124.73 -8.72 7.32 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.276 -0.57 . . . . 0.0 112.31 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -177.02 -174.62 43.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.5 m-20 50.07 37.8 15.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -15.92 59.41 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.488 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 38.5 t80 -89.97 -8.8 50.83 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.885 -1.134 . . . . 0.0 109.631 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 24' ' ' ASP . 14.6 ptpt -168.74 172.69 7.72 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.97 -1.081 . . . . 0.0 109.404 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 28' ' ' LEU . 27.9 tp -79.04 165.34 23.51 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.963 -1.086 . . . . 0.0 109.465 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p -132.63 162.68 30.7 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.177 -0.952 . . . . 0.0 109.987 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' B' ' 33' ' ' LEU . 57.6 tttp -60.0 -39.71 86.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.45 -0.781 . . . . 0.0 110.943 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -75.28 -31.26 60.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.751 -1.218 . . . . 0.0 110.375 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.98 -41.94 77.2 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.481 -0.762 . . . . 0.0 111.637 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -70.07 -35.22 74.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.195 -0.94 . . . . 0.0 110.891 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.9 tttm -60.03 -36.61 77.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.883 -1.135 . . . . 0.0 109.667 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' THR . 96.1 m-20 -66.4 -40.02 89.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.548 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' ND1' ' B' ' 18' ' ' HIS . 54.0 mt -65.12 -40.07 93.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 111.602 -178.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' B' ' 42' ' ' SER . 52.5 mt -76.59 -42.42 42.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.588 -1.32 . . . . 0.0 111.46 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -69.96 -21.08 63.28 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 122.055 0.931 . . . . 0.0 108.739 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.8 p -72.81 -59.79 2.55 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.297 -0.877 . . . . 0.0 110.619 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.438 ' C ' HD12 ' B' ' 41' ' ' LEU . 19.5 mm-40 -111.5 -29.36 7.8 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.991 -1.068 . . . . 0.0 112.336 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.438 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.59 29.34 7.67 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.952 -1.093 . . . . 0.0 110.621 -177.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 37' ' ' LEU . 5.1 p -60.11 -42.93 95.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.884 -1.135 . . . . 0.0 111.11 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.2 p -74.45 -32.0 62.45 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.0 111.012 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.07 -69.75 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 110.222 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.2 mm? -80.97 97.55 7.52 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 45.1 t0 -53.96 137.9 38.19 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.586 HG13 ' H ' ' B' ' 48' ' ' GLN . 1.5 p -165.3 -56.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.004 -1.06 . . . . 0.0 110.549 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.586 ' H ' HG13 ' B' ' 47' ' ' VAL . 2.2 pt20 -59.84 -46.4 89.38 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.464 -0.772 . . . . 0.0 110.979 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -71.14 -39.8 71.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.721 -1.237 . . . . 0.0 109.32 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -105.67 83.18 1.9 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.374 1.083 . . . . 0.0 108.992 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.626 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -59.98 -26.41 66.0 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.252 -0.905 . . . . 0.0 109.451 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.1 p-10 -70.15 -23.89 63.07 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.632 -1.292 . . . . 0.0 107.623 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -63.04 -38.61 91.89 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.626 HG12 ' O ' ' B' ' 51' ' ' ALA . 7.1 p -77.3 -25.82 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 C-N-CA 119.347 -0.941 . . . . 0.0 110.662 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.87 -39.98 76.02 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.777 -1.202 . . . . 0.0 108.635 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -70.41 -39.91 74.17 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.831 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.431 ' O ' HD13 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -65.5 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.095 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 3.4 tmm? -80.27 -27.22 38.65 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.686 0.755 . . . . 0.0 109.061 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.58 -42.33 96.47 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.497 -0.752 . . . . 0.0 110.07 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.12 -25.19 64.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.407 -0.808 . . . . 0.0 108.848 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.563 HD11 HD11 ' B' ' 77' ' ' LEU . 4.6 mp -80.08 -70.87 0.49 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.808 0.813 . . . . 0.0 109.628 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.505 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 94.1 m-20 -74.83 41.66 0.16 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.5 tt0 -51.28 -17.24 0.67 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.481 ' N ' ' C ' ' B' ' 62' ' ' ASP . 21.6 m120 -82.85 -8.45 59.58 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.25 0.548 . . . . 0.0 109.672 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.99 28.02 63.31 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.238 -0.914 . . . . 0.0 110.978 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 33.3 p-10 -87.45 -7.7 57.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.75 -1.441 . . . . 0.0 110.388 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.12 -3.61 2.18 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 120.885 -1.134 . . . . 0.0 110.458 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD2' ' B' ' 66' ' ' ASP . 36.9 mt-10 -124.23 136.36 54.1 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 71' ' ' PHE . 24.9 t -99.27 138.09 24.74 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 -177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.665 ' O ' ' N ' ' B' ' 72' ' ' GLN . 82.3 m-20 -74.04 28.17 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.549 -0.719 . . . . 0.0 110.293 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 22.6 p90 53.67 -48.38 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.4 tt0 -59.98 -39.87 87.2 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.473 -1.392 . . . . 0.0 109.049 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.22 -43.61 95.86 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.624 -1.297 . . . . 0.0 109.558 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.66 ' O ' HG22 ' B' ' 78' ' ' VAL . 63.5 t80 -60.31 -49.73 76.43 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.717 -0.614 . . . . 0.0 112.08 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -29.7 40.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 120.212 -1.555 . . . . 0.0 110.066 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -56.29 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.019 -1.05 . . . . 0.0 113.321 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.724 HD22 ' H ' ' B' ' 77' ' ' LEU . 0.0 OUTLIER -71.15 -39.87 71.67 Favored 'General case' 0 N--CA 1.513 2.697 0 O-C-N 119.752 -1.843 . . . . 0.0 113.043 -176.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.66 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -75.97 -27.13 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.026 -1.671 . . . . 0.0 110.96 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.87 73.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.5 -1.375 . . . . 0.0 109.276 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -31.15 68.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.54 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -69.46 -39.78 77.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.017 -1.052 . . . . 0.0 110.148 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 78' ' ' VAL . 82.2 p -67.08 -45.53 77.02 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.039 -1.038 . . . . 0.0 111.712 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.489 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.9 p -68.27 -43.88 84.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.924 -1.11 . . . . 0.0 110.65 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.489 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.86 -42.52 99.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.996 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.02 -40.31 88.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.126 -0.984 . . . . 0.0 110.705 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.7 m120 -60.22 -39.91 88.32 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.929 -1.107 . . . . 0.0 110.375 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.64 -26.54 62.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.967 -1.083 . . . . 0.0 108.967 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 109.96 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -72.22 -17.74 61.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -65.44 -34.17 77.65 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 110.421 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' B' ' 92' ' ' ASN . 12.6 pt-20 -59.87 -39.03 83.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.088 -1.008 . . . . 0.0 109.813 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' B' ' 93' ' ' SER . 64.3 t-20 -59.96 -39.72 86.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.39 -0.819 . . . . 0.0 108.968 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.4 t . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.811 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -82.71 4.72 23.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.112 -1.228 . . . . 0.0 109.259 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -59.99 -44.82 94.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.44 -0.787 . . . . 0.0 110.268 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 60.3 tp -68.77 -52.61 28.52 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.532 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.95 -40.08 87.78 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 10' ' ' THR . 31.5 m -61.7 -22.96 65.79 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -69.99 -37.25 75.66 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.764 -0.585 . . . . 0.0 111.038 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtt -80.96 -35.02 32.7 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.78 -1.2 . . . . 0.0 110.221 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.09 -29.26 66.2 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.453 1.121 . . . . 0.0 108.113 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -69.73 -59.02 3.21 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.917 -177.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.99 -28.1 65.25 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.119 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.25 -39.82 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.093 -1.004 . . . . 0.0 109.831 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -65.3 -39.89 93.1 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.225 1.012 . . . . 0.0 109.456 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -24.43 16.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -35.98 75.8 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -88.68 -9.03 53.5 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.78 54.89 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.987 -1.07 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 22.7 t-80 -112.55 -25.8 8.98 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.576 -0.702 . . . . 0.0 112.024 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 43.4 t -59.95 -39.02 84.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.897 -1.127 . . . . 0.0 110.74 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.34 0.82 Allowed Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -87.16 -48.89 7.68 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.308 -1.113 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.95 -33.08 6.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.847 -0.533 . . . . 0.0 111.406 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 25' ' ' LYS . . . -169.39 -166.05 27.77 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 50.02 29.17 3.31 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 23' ' ' GLY . 3.6 tmtt? -65.48 -19.63 66.01 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.124 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.64 -11.71 36.29 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.731 -1.23 . . . . 0.0 110.685 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -160.26 161.41 33.41 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.788 -1.195 . . . . 0.0 109.588 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -79.09 162.19 26.02 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.689 -1.257 . . . . 0.0 108.515 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.6 m -136.86 166.61 23.22 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.797 -1.189 . . . . 0.0 110.169 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -59.87 -40.24 87.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -0.899 . . . . 0.0 112.396 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -77.85 -28.65 50.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.366 -1.458 . . . . 0.0 110.334 -177.716 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 19' ' ' SER . 94.0 mt-10 -65.06 -48.76 72.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 111.326 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -68.43 -34.51 76.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.844 . . . . 0.0 111.143 -179.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 55.7 tttm -64.93 -39.97 94.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.927 -1.108 . . . . 0.0 110.338 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 89.5 m-20 -61.2 -40.15 92.88 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.104 -0.998 . . . . 0.0 109.554 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 ' CB ' ' A' ' 18' ' ' HIS . 85.0 mt -60.38 -40.0 89.3 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.75 -35.6 38.53 Favored 'General case' 0 C--N 1.288 -2.099 0 O-C-N 119.952 -1.717 . . . . 0.0 110.965 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.54 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 25.9 mt-30 -69.77 -0.47 7.13 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 111.836 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -101.73 -50.88 3.58 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.057 -1.027 . . . . 0.0 111.648 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' HD22 ' A' ' 41' ' ' LEU . 42.5 mm-40 -111.89 -31.5 6.91 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.954 -1.091 . . . . 0.0 112.173 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 40' ' ' GLU . 1.4 mm? -110.36 28.7 8.39 Favored 'General case' 0 N--CA 1.513 2.714 0 O-C-N 120.924 -1.11 . . . . 0.0 110.706 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 m -61.44 -41.74 97.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.02 -1.05 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -70.06 -39.4 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.363 -0.835 . . . . 0.0 111.954 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.2 -67.71 0.73 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 109.591 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.4 mt -81.03 97.06 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.34 106.26 0.72 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.265 -0.974 . . . . 0.0 109.569 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HG2' ' A' ' 38' ' ' GLN . 1.3 p -124.49 -19.23 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.545 -0.722 . . . . 0.0 109.537 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -80.14 -68.02 0.71 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.04 -1.038 . . . . 0.0 112.803 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.74 -45.95 81.67 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 110.963 -176.003 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -97.15 77.66 2.72 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.543 -1.348 . . . . 0.0 109.498 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.87 -19.98 20.53 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.52 -21.67 57.78 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.6 81.05 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 51' ' ' ALA . 5.7 p -78.87 -24.77 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.235 -0.916 . . . . 0.0 110.223 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -70.09 -39.9 75.29 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.805 -1.184 . . . . 0.0 107.806 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -70.17 -39.26 75.39 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.618 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.659 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -70.74 -32.05 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.397 -178.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 ttp -83.71 -25.5 30.57 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.61 -36.37 78.42 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 4.4 mp -77.72 -65.13 1.0 Allowed 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.515 0.674 . . . . 0.0 109.784 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' C ' ' N ' ' A' ' 64' ' ' ASN . 96.9 m-20 -80.82 42.88 0.65 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.01 -13.9 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 62' ' ' ASP . 49.8 t30 -88.65 -6.23 57.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.09 33.64 69.73 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 68' ' ' GLU . 48.2 p-10 -87.95 -5.67 58.42 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.035 -1.274 . . . . 0.0 110.6 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.83 -2.7 1.81 Allowed Glycine 0 N--CA 1.497 2.739 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.5 mt-10 -130.0 144.82 51.54 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 121.442 -1.034 . . . . 0.0 108.646 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 71' ' ' PHE . 40.6 t -113.65 149.03 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 CA-C-O 121.979 0.895 . . . . 0.0 111.756 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.635 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 44.0 t0 -85.49 23.33 1.37 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 30.2 p90 54.59 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 19.7 pt20 -60.05 -37.65 80.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.057 -1.652 . . . . 0.0 108.892 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -60.09 -40.0 88.08 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.18 -0.95 . . . . 0.0 108.89 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HA ' HD21 ' A' ' 61' ' ' LEU . 59.0 t80 -64.53 -49.24 72.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.7 -39.9 77.82 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 120.81 -1.181 . . . . 0.0 111.419 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -68.41 -34.75 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.48 -1.388 . . . . 0.0 111.217 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD21 HG13 ' A' ' 57' ' ' ILE . 13.9 tp -63.4 -58.08 8.23 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.942 -1.098 . . . . 0.0 111.315 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -70.91 -22.44 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.614 . . . . 0.0 110.686 -178.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -68.48 -49.76 57.38 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.178 -0.952 . . . . 0.0 110.216 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.73 74.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.203 -0.936 . . . . 0.0 112.121 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.55 -46.83 74.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.738 -1.226 . . . . 0.0 111.12 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.6 -40.76 89.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.845 -1.159 . . . . 0.0 111.029 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -61.21 -42.13 92.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.387 -0.82 . . . . 0.0 109.394 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.15 92.58 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.646 -0.659 . . . . 0.0 110.14 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.11 -42.51 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.158 -0.964 . . . . 0.0 110.646 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.928 -1.108 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.93 -38.58 86.3 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.298 -0.876 . . . . 0.0 108.696 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.17 -40.97 91.83 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.291 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -70.03 -37.4 75.6 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.969 -1.082 . . . . 0.0 108.929 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -86.5 0.66 53.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.542 -0.724 . . . . 0.0 109.945 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.08 -40.65 90.31 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.015 -1.053 . . . . 0.0 108.651 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -85.0 -6.56 59.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.355 -0.84 . . . . 0.0 109.438 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.469 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -82.66 4.75 23.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.156 . . . . 0.0 109.389 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.439 -0.788 . . . . 0.0 110.163 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.542 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 61.5 tp -68.55 -52.47 31.54 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.564 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -39.96 87.43 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 10' ' ' THR . 31.4 m -61.75 -23.17 65.99 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 4' ' ' LEU . . . -69.42 -37.55 77.48 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.344 0.592 . . . . 0.0 110.961 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.4 mtt -80.9 -35.13 32.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.286 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.03 -29.04 65.99 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 122.475 1.131 . . . . 0.0 108.14 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -70.03 -59.0 3.18 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.819 -177.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.943 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.4 mt -68.48 -39.4 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.216 -0.927 . . . . 0.0 110.035 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -65.82 -40.1 91.52 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.138 0.97 . . . . 0.0 109.499 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.06 -24.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.78 -36.03 75.38 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -88.48 -9.2 53.26 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.37 55.3 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.884 -1.135 . . . . 0.0 109.694 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.535 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 22.7 t-80 -112.63 -25.9 8.9 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.573 -0.704 . . . . 0.0 111.968 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 44.9 t -60.02 -39.29 85.35 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.859 -1.151 . . . . 0.0 110.745 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.88 52.14 0.83 Allowed Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -86.88 -49.29 7.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.285 -1.127 . . . . 0.0 109.674 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -111.95 -32.9 6.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.854 -0.529 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.08 -166.11 27.58 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.06 29.14 3.34 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -65.55 -19.6 65.99 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.081 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -91.37 -12.37 35.1 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.71 -1.244 . . . . 0.0 110.638 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -160.07 161.21 33.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.778 -1.201 . . . . 0.0 109.681 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -78.96 162.23 26.12 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.652 -1.28 . . . . 0.0 108.507 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -136.53 167.1 22.01 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.853 -1.154 . . . . 0.0 110.168 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -60.11 -40.08 88.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 112.523 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.503 ' CD ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -78.22 -28.67 47.99 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.336 -1.478 . . . . 0.0 110.311 -177.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' B' ' 19' ' ' SER . 94.2 mt-10 -64.99 -48.89 72.36 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.327 -0.858 . . . . 0.0 111.273 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -34.53 76.29 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.334 -0.854 . . . . 0.0 111.178 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 54.9 tttm -64.8 -40.1 94.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.998 -1.063 . . . . 0.0 110.264 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' B' ' 18' ' ' HIS . 89.9 m-20 -61.27 -39.91 92.14 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.199 -0.938 . . . . 0.0 109.715 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.518 HD21 ' CB ' ' B' ' 18' ' ' HIS . 83.5 mt -60.7 -39.99 90.59 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -79.73 -35.74 38.4 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 119.989 -1.694 . . . . 0.0 111.028 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 25.6 mt-30 -69.54 -0.66 7.01 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 111.867 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' OE2' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -101.66 -50.94 3.57 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.995 -1.066 . . . . 0.0 111.545 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' HB2' HD22 ' B' ' 41' ' ' LEU . 43.2 mm-40 -111.88 -31.54 6.9 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.889 -1.132 . . . . 0.0 112.089 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 40' ' ' GLU . 1.5 mm? -110.14 28.29 8.76 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.981 -1.075 . . . . 0.0 110.862 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.9 m -61.32 -41.82 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.01 -1.056 . . . . 0.0 110.089 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -69.91 -39.61 76.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.314 -0.866 . . . . 0.0 111.981 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.03 -67.6 0.74 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.693 -1.255 . . . . 0.0 109.674 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.91 97.16 7.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.59 106.12 0.73 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.627 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG2' ' B' ' 38' ' ' GLN . 1.3 p -124.44 -19.13 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.609 -0.682 . . . . 0.0 109.575 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.11 -67.99 0.71 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.983 -1.073 . . . . 0.0 112.812 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.02 -45.35 83.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 111.149 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -97.45 77.44 2.62 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.441 -1.412 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.83 -20.13 21.03 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.21 -22.13 58.18 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.01 -37.26 87.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.1 p -77.8 -24.68 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.96 -40.13 75.6 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.753 -1.217 . . . . 0.0 107.765 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.94 -39.45 76.09 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.584 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.652 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -70.72 -32.14 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.712 -0.617 . . . . 0.0 109.386 -178.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.51 -25.37 31.12 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 122.388 1.09 . . . . 0.0 108.138 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -60.09 -40.13 88.54 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.46 -36.4 78.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 4.6 mp -77.73 -65.29 0.98 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.514 0.674 . . . . 0.0 109.848 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.471 ' C ' ' N ' ' B' ' 64' ' ' ASN . 96.7 m-20 -80.81 42.94 0.65 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -54.1 -13.63 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.471 ' N ' ' C ' ' B' ' 62' ' ' ASP . 49.7 t30 -88.93 -6.16 57.47 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.07 33.75 69.89 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' B' ' 68' ' ' GLU . 48.0 p-10 -87.91 -5.86 58.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.037 -1.273 . . . . 0.0 110.593 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.67 -2.38 1.88 Allowed Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' B' ' 66' ' ' ASP . 99.4 mt-10 -130.01 144.71 51.48 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.563 -0.963 . . . . 0.0 108.545 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.415 HG12 ' H ' ' B' ' 71' ' ' PHE . 40.1 t -113.48 149.16 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 121.877 0.846 . . . . 0.0 111.733 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.638 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 44.3 t0 -85.61 23.28 1.41 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 29.2 p90 54.39 -47.36 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.629 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 19.5 pt20 -60.09 -37.65 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.125 -1.609 . . . . 0.0 108.83 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -59.99 -40.05 87.84 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 108.919 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.528 ' HA ' HD21 ' B' ' 61' ' ' LEU . 58.9 t80 -64.38 -49.53 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -58.62 -40.0 77.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 120.747 -1.22 . . . . 0.0 111.393 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 m -67.68 -35.38 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.731 -1.23 . . . . 0.0 111.191 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.652 HD21 HG13 ' B' ' 57' ' ' ILE . 13.5 tp -63.33 -58.12 8.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.972 -1.08 . . . . 0.0 111.424 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.462 ' H ' HG22 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.73 -22.56 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.65 -0.656 . . . . 0.0 110.667 -178.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.495 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -68.14 -50.21 56.12 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.75 -41.84 74.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.252 -0.905 . . . . 0.0 112.191 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.53 -47.1 73.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.721 -1.237 . . . . 0.0 110.993 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -65.64 -42.03 91.91 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.928 -1.108 . . . . 0.0 111.032 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.29 -42.32 90.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.476 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.06 92.97 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.551 -0.718 . . . . 0.0 110.082 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 69.3 m -61.01 -42.64 98.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.0 110.629 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -60.31 -40.04 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.885 -1.134 . . . . 0.0 109.585 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.82 -38.8 86.66 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.643 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.86 -41.11 90.77 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.864 -0.735 . . . . 0.0 110.332 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -70.13 -37.15 75.23 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 120.944 -1.098 . . . . 0.0 108.88 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -86.47 0.55 53.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.757 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -59.97 -40.49 89.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.028 -1.045 . . . . 0.0 108.735 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -85.08 -6.49 59.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.4 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.446 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.817 0 N-CA-C 119.386 2.515 . . . . 0.0 119.386 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' THR . 52.8 m -101.71 21.72 14.01 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.299 -1.118 . . . . 0.0 109.273 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 4.6 mm-40 -60.12 -49.76 76.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.336 -0.853 . . . . 0.0 109.213 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.1 tt -73.71 -39.92 63.98 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -39.94 95.85 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 2' ' ' SER . 22.4 m -64.0 -21.19 66.39 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -69.16 -39.1 78.97 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.059 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.447 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 57.5 ttp -75.45 -40.0 58.11 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 110.928 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -30.01 66.04 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.383 -0.823 . . . . 0.0 111.294 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 11' ' ' LEU . 9.6 t -78.53 -46.14 20.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.113 -0.992 . . . . 0.0 111.802 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 10' ' ' THR . 2.9 pp -69.64 -27.04 64.71 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.167 -1.583 . . . . 0.0 109.009 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -71.85 -36.48 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.003 -1.061 . . . . 0.0 109.998 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -71.15 -41.49 70.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.974 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.41 -33.08 58.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 36.5 t80 -60.85 -40.07 91.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 40.6 t-80 -86.77 -7.4 58.29 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -30.88 23.58 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.935 -1.103 . . . . 0.0 110.706 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.09 -32.3 6.83 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.077 -1.015 . . . . 0.0 110.803 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.18 -39.94 96.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.118 -0.989 . . . . 0.0 111.304 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.23 -5.21 90.22 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.965 -1.084 . . . . 0.0 110.636 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -26.41 44.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.949 -1.324 . . . . 0.0 108.694 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -89.3 -2.83 58.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 90.29 -32.82 4.77 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.9 m-20 -71.08 59.55 0.24 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 23' ' ' GLY . 4.2 ttpm? -78.05 -16.91 57.64 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 -177.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -87.48 -14.21 41.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.808 -1.183 . . . . 0.0 109.269 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' ASP . 2.7 ttmp? -153.88 155.1 35.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 28' ' ' LEU . 23.6 tp -84.86 169.95 13.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.89 -1.131 . . . . 0.0 108.542 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.517 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 39.7 t -137.81 166.52 23.79 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.988 -1.07 . . . . 0.0 110.425 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 87.1 tttt -59.88 -39.9 86.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.644 -0.66 . . . . 0.0 111.036 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -75.98 -34.54 59.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.814 -1.179 . . . . 0.0 110.412 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 29' ' ' SER . 58.6 mt-10 -61.84 -49.95 74.23 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 111.392 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -68.3 -32.25 72.25 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.554 -0.717 . . . . 0.0 109.855 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 51.4 tttm -62.22 -39.92 94.39 Favored 'General case' 0 C--O 1.192 -1.926 0 O-C-N 121.018 -1.051 . . . . 0.0 109.787 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 39' ' ' THR . 26.0 t0 -63.85 -40.41 96.5 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.65 -1.281 . . . . 0.0 110.137 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.9 -40.1 94.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.406 -0.809 . . . . 0.0 110.702 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' SER . 25.9 mt -73.82 -41.14 62.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.027 -1.046 . . . . 0.0 110.793 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.9 mt-30 -69.96 -25.23 63.53 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' ASP . 14.1 p -82.49 -55.3 4.57 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.209 -0.932 . . . . 0.0 112.223 -178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 9.5 mt-10 -111.31 -29.82 7.67 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 120.888 -1.132 . . . . 0.0 113.233 -176.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.03 23.28 14.55 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 120.81 -1.181 . . . . 0.0 110.586 -177.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 37' ' ' LEU . 21.7 p -60.13 -40.24 89.09 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 m -62.23 -45.9 91.25 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.022 -1.049 . . . . 0.0 111.255 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -76.53 -68.79 0.56 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.004 -1.06 . . . . 0.0 110.341 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' VAL . 10.7 mp -81.74 94.06 6.93 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 35.7 p-10 -59.64 83.06 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.113 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 p -95.34 -14.73 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.539 -0.726 . . . . 0.0 109.911 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.0 -67.49 0.76 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.021 -1.049 . . . . 0.0 112.529 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.78 -47.84 84.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 110.501 -176.396 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' ALA . 82.6 m-20 -94.34 78.69 3.92 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.115 -1.616 . . . . 0.0 109.29 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.567 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.22 -24.49 42.4 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -70.04 -20.68 63.23 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.96 -31.54 72.51 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -76.64 -31.34 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 C-N-CA 118.88 -1.128 . . . . 0.0 109.683 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.555 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.3 m-20 -66.42 -40.01 89.31 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.917 -1.114 . . . . 0.0 108.985 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.513 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -41.01 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HA ' HD22 ' A' ' 61' ' ' LEU . 27.5 ptm -82.47 -31.93 29.14 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 111.069 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.04 -39.94 91.72 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 122.571 1.177 . . . . 0.0 108.774 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.76 -40.12 94.02 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.24 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.026 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -106.39 -24.44 12.24 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.092 -1.005 . . . . 0.0 111.155 -178.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 1.026 ' N ' HD23 ' A' ' 61' ' ' LEU . 6.9 t0 -82.81 50.53 1.71 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.442 -1.411 . . . . 0.0 108.039 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -60.24 -10.59 4.76 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.35 -11.56 60.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.97 24.12 33.58 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 22.9 p-10 -91.18 -0.13 57.64 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.689 -0.889 . . . . 0.0 110.533 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.51 9.94 5.35 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.2 mt-10 -132.18 139.88 48.53 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 71' ' ' PHE . 43.3 t -109.4 137.46 41.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-O 121.385 0.612 . . . . 0.0 110.362 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 72' ' ' GLN . 37.5 t0 -72.84 17.73 0.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 36.5 t80 61.65 -50.75 0.13 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 122.075 -0.391 . . . . 0.0 111.131 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 tm0? -60.08 -39.95 87.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.476 -1.39 . . . . 0.0 108.427 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 61' ' ' LEU . 51.6 mt-10 -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.106 -0.996 . . . . 0.0 108.635 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 78' ' ' VAL . 69.1 t80 -60.02 -44.88 94.31 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.681 -178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -60.05 -39.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.782 -1.199 . . . . 0.0 111.342 -177.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 76' ' ' VAL . 11.4 m -72.29 -37.45 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.3 -1.5 . . . . 0.0 111.63 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.83 -56.53 14.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.83 -1.169 . . . . 0.0 111.179 -178.041 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -74.86 -21.92 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.845 -0.535 . . . . 0.0 111.588 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -68.35 -46.5 69.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.728 -1.232 . . . . 0.0 109.393 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.78 75.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.355 -0.841 . . . . 0.0 110.944 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.2 -47.74 75.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.891 -1.13 . . . . 0.0 111.981 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.1 t -74.14 -41.78 61.0 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.95 -1.094 . . . . 0.0 111.635 -178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' N ' HG23 ' A' ' 82' ' ' THR . 49.5 t -60.67 -44.91 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.099 -1.001 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.383 -0.823 . . . . 0.0 109.784 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.94 -40.03 87.58 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.321 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.68 -40.08 91.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.012 -1.055 . . . . 0.0 109.829 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.315 -0.865 . . . . 0.0 110.591 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -91.14 -18.99 23.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.041 -1.037 . . . . 0.0 109.965 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -87.73 -20.79 25.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.054 -1.028 . . . . 0.0 110.437 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.49 -39.43 87.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.895 -1.128 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 93' ' ' SER . 27.4 t-20 -59.96 -39.88 87.11 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 1.2 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.219 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.833 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.411 ' O ' ' N ' ' B' ' 6' ' ' THR . 51.5 m -101.9 21.83 14.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.196 -1.179 . . . . 0.0 109.417 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 4.5 mm-40 -60.02 -49.87 75.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.857 . . . . 0.0 109.227 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.1 tt -73.65 -40.01 64.05 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.85 -39.94 95.93 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 2' ' ' SER . 21.1 m -63.91 -21.05 66.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -69.09 -39.75 78.84 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 122.013 0.911 . . . . 0.0 109.049 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.472 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 56.0 ttp -75.19 -39.85 59.84 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.127 -0.983 . . . . 0.0 110.891 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -29.84 65.83 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.399 -0.813 . . . . 0.0 111.181 -177.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 11' ' ' LEU . 11.6 t -78.51 -46.46 19.52 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 121.063 -1.023 . . . . 0.0 111.805 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 10' ' ' THR . 2.7 pp -69.37 -27.06 65.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.342 -1.474 . . . . 0.0 108.942 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.36 -35.47 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 110.211 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -72.09 -41.26 67.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.815 -1.178 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -68.3 -33.15 58.92 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 37.7 t80 -60.76 -40.05 91.02 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 16' ' ' HIS . 40.1 t-80 -87.16 -6.82 58.49 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.37 23.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.809 -1.182 . . . . 0.0 110.756 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -111.27 -32.24 6.81 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.049 -1.032 . . . . 0.0 110.749 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -63.2 -39.92 96.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.154 -0.966 . . . . 0.0 111.264 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -4.57 90.27 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.936 -1.126 . . . . 0.0 110.691 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -78.98 -26.28 43.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.898 -1.354 . . . . 0.0 108.497 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -89.49 -2.75 58.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.56 -0.712 . . . . 0.0 110.156 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 90.53 -33.29 4.64 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 90.9 m-20 -70.79 59.6 0.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' B' ' 23' ' ' GLY . 4.1 ttpm? -78.32 -16.82 57.33 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.56 -177.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.47 -14.44 40.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.828 -1.17 . . . . 0.0 109.254 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' B' ' 24' ' ' ASP . 2.7 ttmp? -153.71 155.08 35.29 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 28' ' ' LEU . 23.5 tp -84.75 169.97 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.941 -1.1 . . . . 0.0 108.668 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 36.4 t -137.25 167.11 22.22 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.001 -1.062 . . . . 0.0 110.475 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.506 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 87.1 tttt -60.04 -40.0 87.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.614 -0.679 . . . . 0.0 110.99 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -76.57 -34.1 58.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.857 -1.152 . . . . 0.0 110.536 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 29' ' ' SER . 58.9 mt-10 -62.08 -49.95 73.91 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 111.299 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.5 -31.94 71.57 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.353 -0.842 . . . . 0.0 109.916 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 51.9 tttm -62.36 -39.92 94.73 Favored 'General case' 0 C--O 1.193 -1.92 0 O-C-N 121.131 -0.981 . . . . 0.0 109.783 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.482 ' O ' HG23 ' B' ' 39' ' ' THR . 24.6 t0 -64.01 -39.93 95.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.626 -1.297 . . . . 0.0 110.297 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.33 -40.02 94.99 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 110.685 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.3 mt -73.74 -41.15 62.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.91 -1.119 . . . . 0.0 110.85 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.518 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.7 mt-30 -70.05 -24.98 63.35 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' B' ' 35' ' ' ASP . 12.7 p -82.96 -54.72 4.86 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.196 -0.94 . . . . 0.0 112.262 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 10.8 mt-10 -111.52 -29.95 7.56 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.895 -1.128 . . . . 0.0 113.208 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.4 mp -110.02 23.2 14.66 Favored 'General case' 0 N--CA 1.516 2.875 0 O-C-N 120.806 -1.184 . . . . 0.0 110.556 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 37' ' ' LEU . 24.8 p -60.07 -39.92 87.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.165 -0.959 . . . . 0.0 110.611 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 57.8 m -62.82 -45.14 93.99 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 111.265 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -77.02 -68.86 0.57 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 47' ' ' VAL . 10.8 mp -81.76 94.12 6.95 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 35.7 p-10 -59.81 83.12 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 108.99 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' B' ' 45' ' ' LEU . 1.9 p -95.48 -14.52 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.556 -0.715 . . . . 0.0 109.88 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -80.04 -67.78 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.002 . . . . 0.0 112.508 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.533 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -59.4 -47.98 83.4 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.395 -0.816 . . . . 0.0 110.502 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' B' ' 53' ' ' ALA . 82.6 m-20 -94.29 78.55 3.95 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.237 -1.539 . . . . 0.0 109.465 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.11 -24.57 41.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.06 -20.26 63.24 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -66.46 -30.99 71.46 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.9 OUTLIER -77.17 -31.21 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.664 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.506 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 97.9 m-20 -66.65 -39.87 88.43 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.973 -1.079 . . . . 0.0 108.82 -178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -70.21 -39.96 74.86 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -40.79 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.219 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.45 ' HA ' HD22 ' B' ' 61' ' ' LEU . 27.2 ptm -82.75 -31.49 28.34 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.239 -0.913 . . . . 0.0 111.105 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.12 -40.05 92.33 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 122.569 1.176 . . . . 0.0 108.745 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.73 -40.01 93.57 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.273 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 1.003 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -106.75 -24.23 12.16 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.154 -0.966 . . . . 0.0 111.146 -178.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 1.003 ' N ' HD23 ' B' ' 61' ' ' LEU . 7.0 t0 -83.03 50.5 1.74 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.456 -1.402 . . . . 0.0 107.977 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.03 -10.81 4.65 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -74.49 -11.35 60.2 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.13 0.491 . . . . 0.0 109.68 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.63 24.67 32.98 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.065 -2.014 . . . . 0.0 108.065 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 23.1 p-10 -91.23 -0.43 57.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.666 -0.902 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.52 10.15 5.61 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 66' ' ' ASP . 43.2 mt-10 -132.4 139.96 48.28 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' B' ' 71' ' ' PHE . 44.2 t -109.34 137.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 121.422 0.63 . . . . 0.0 110.463 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 72' ' ' GLN . 36.1 t0 -73.05 17.58 0.12 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.626 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 36.5 t80 61.44 -50.63 0.13 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 122.027 -0.421 . . . . 0.0 111.272 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' O ' ' B' ' 70' ' ' ASP . 1.6 tm0? -59.99 -40.01 87.7 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.369 -1.457 . . . . 0.0 108.363 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.505 ' C ' HD12 ' B' ' 61' ' ' LEU . 52.0 mt-10 -59.99 -40.38 88.98 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.121 -0.987 . . . . 0.0 108.561 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.834 ' O ' HG22 ' B' ' 78' ' ' VAL . 68.4 t80 -60.05 -44.58 94.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.568 -0.707 . . . . 0.0 111.716 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -59.95 -40.7 83.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.748 -1.22 . . . . 0.0 111.125 -177.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' H ' HG22 ' B' ' 76' ' ' VAL . 13.5 m -71.43 -37.72 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 111.784 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -56.6 13.8 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.772 -1.205 . . . . 0.0 111.181 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.834 HG22 ' O ' ' B' ' 74' ' ' PHE . 15.6 m -74.73 -21.53 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.82 -0.55 . . . . 0.0 111.638 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -68.66 -46.74 68.34 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.71 -1.244 . . . . 0.0 109.348 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.46 75.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.0 -48.37 74.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.884 -1.135 . . . . 0.0 111.885 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.5 HG23 ' N ' ' B' ' 83' ' ' VAL . 11.6 t -73.45 -42.82 61.47 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.924 -1.11 . . . . 0.0 111.486 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.5 ' N ' HG23 ' B' ' 82' ' ' THR . 46.9 t -60.11 -44.8 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.08 -1.013 . . . . 0.0 109.223 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.12 88.05 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.496 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 67.6 m -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -40.09 87.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.05 -1.031 . . . . 0.0 110.227 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.67 -40.16 92.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.037 -1.039 . . . . 0.0 109.951 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -62.24 -39.98 94.62 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.326 -0.859 . . . . 0.0 110.668 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -91.22 -19.0 23.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -87.66 -20.76 25.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.108 -0.995 . . . . 0.0 110.498 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -60.55 -39.33 87.54 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.848 -1.158 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' B' ' 93' ' ' SER . 27.4 t-20 -60.01 -39.79 87.04 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 1.3 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.182 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.757 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -101.04 14.59 31.48 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.279 -1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.01 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.284 -0.885 . . . . 0.0 109.476 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 41' ' ' LEU . 2.3 tt -70.64 -37.32 73.73 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.22 -40.07 92.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.684 0.754 . . . . 0.0 109.046 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 m -65.37 -20.96 66.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.62 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -71.07 -40.04 71.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.259 -0.9 . . . . 0.0 109.022 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.43 ' O ' HD12 ' A' ' 12' ' ' ILE . 27.0 ttt -71.02 -39.98 72.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.391 -0.818 . . . . 0.0 110.595 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.9 pt-20 -70.41 -34.47 72.55 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.551 -0.718 . . . . 0.0 111.448 -177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.614 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 15.4 t -79.06 -52.82 7.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.194 -0.941 . . . . 0.0 112.819 -176.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.56 ' N ' HG23 ' A' ' 10' ' ' THR . 1.9 pp -61.29 -26.67 67.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 119.988 -1.695 . . . . 0.0 108.715 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 8' ' ' MET . 77.1 mt -74.51 -33.6 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.708 -1.245 . . . . 0.0 109.865 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 88.8 m-20 -70.01 -44.32 69.58 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.331 -0.856 . . . . 0.0 110.891 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.6 m -69.97 -33.74 56.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 14' ' ' VAL . 41.6 t80 -60.08 -39.98 87.96 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.128 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -88.01 -10.38 50.52 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.57 -40.01 61.91 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.425 -0.797 . . . . 0.0 109.322 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -101.2 -34.67 9.58 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.474 -0.767 . . . . 0.0 111.031 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.2 m -59.88 -40.01 87.23 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.638 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.17 4.07 84.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -88.69 -20.97 24.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.512 -0.993 . . . . 0.0 109.615 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.95 -1.23 37.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.324 -0.86 . . . . 0.0 110.929 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 89.95 -13.64 64.06 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 27' ' ' LYS . 97.2 m-20 -85.14 37.3 0.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' GLY . 7.1 ttmm -51.41 -20.04 1.62 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.505 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -94.36 -14.51 25.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.658 -1.276 . . . . 0.0 110.641 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 24' ' ' ASP . 13.1 ttmt -149.92 151.81 34.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.003 -1.06 . . . . 0.0 109.136 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -79.72 163.1 24.77 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 28.7 t -135.16 164.46 27.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.893 -1.129 . . . . 0.0 110.431 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -58.87 -40.02 83.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.545 -0.722 . . . . 0.0 111.358 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -74.75 -29.91 61.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.641 -1.287 . . . . 0.0 110.377 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 81.4 mt-10 -65.9 -50.67 63.63 Favored 'General case' 0 C--N 1.292 -1.891 0 O-C-N 121.144 -0.972 . . . . 0.0 111.312 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -63.4 -30.36 71.5 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.05 -1.032 . . . . 0.0 109.709 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 47' ' ' VAL . 33.5 tptt -59.99 -40.14 88.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.338 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' THR . 98.5 m-20 -70.97 -40.08 72.16 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.38 -0.825 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.0 mt -62.16 -41.35 98.22 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.021 -1.049 . . . . 0.0 111.854 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.7 -41.68 26.28 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.785 -1.197 . . . . 0.0 111.215 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -72.82 -10.06 59.37 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.436 -0.79 . . . . 0.0 109.113 -179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ASP . 1.1 p -81.83 -60.72 2.14 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.672 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.9 mt-10 -111.31 -29.84 7.66 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.269 -0.894 . . . . 0.0 111.641 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.647 HD21 HD22 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -106.76 26.25 10.25 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 120.884 -1.135 . . . . 0.0 110.313 -177.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -59.97 -45.97 90.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.059 -1.025 . . . . 0.0 111.318 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.9 t -69.97 -39.82 75.74 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.1 -1.0 . . . . 0.0 111.916 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.82 -66.72 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.637 -1.289 . . . . 0.0 110.172 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD21 ' OG1' ' A' ' 82' ' ' THR . 10.9 mp -81.31 97.78 7.84 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -56.61 140.21 47.51 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 48' ' ' GLN . 2.9 p -169.43 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 120.92 -1.113 . . . . 0.0 110.259 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 47' ' ' VAL . 6.6 pt20 -60.54 -46.11 91.4 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.317 -0.865 . . . . 0.0 110.705 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.965 -1.084 . . . . 0.0 109.72 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -104.1 82.26 1.94 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.188 -0.945 . . . . 0.0 108.935 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.994 -1.066 . . . . 0.0 108.176 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -60.02 -35.71 75.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.06 69.53 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.458 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.64 -28.77 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.009 -1.057 . . . . 0.0 109.486 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -68.67 -40.01 80.35 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.819 -1.176 . . . . 0.0 108.847 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -70.15 -40.04 75.0 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 122.009 0.909 . . . . 0.0 109.41 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.723 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.57 -37.37 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.04 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.3 mmm -73.8 -31.45 63.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 0.0 109.598 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.54 -40.07 81.98 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.758 -0.589 . . . . 0.0 109.938 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.98 -25.19 63.5 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 108.855 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.4 mp -89.98 -77.59 0.39 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.765 0.793 . . . . 0.0 110.871 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 83.0 m-20 -73.02 38.43 0.09 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.348 0.594 . . . . 0.0 110.304 -177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 61' ' ' LEU . 20.2 pt-20 -62.32 -13.94 34.12 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -81.29 2.21 29.12 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.775 -0.578 . . . . 0.0 111.273 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.31 43.05 13.64 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' A' ' 68' ' ' GLU . 18.2 p-10 -140.88 96.25 2.98 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.28 25.12 0.01 OUTLIER Glycine 0 N--CA 1.506 3.315 0 O-C-N 121.925 -0.484 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' A' ' 66' ' ' ASP . 44.1 mp0 -129.76 133.78 47.21 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 71' ' ' PHE . 8.3 t -100.98 144.33 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.498 -0.751 . . . . 0.0 111.097 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.606 ' O ' ' CG ' ' A' ' 71' ' ' PHE . 96.0 m-20 -74.68 21.35 0.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 14.3 p90 56.36 -39.22 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.079 0.552 . . . . 0.0 112.229 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.588 ' N ' ' O ' ' A' ' 70' ' ' ASP . 14.3 pt20 -69.94 -34.19 73.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.285 -1.509 . . . . 0.0 108.456 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -60.94 -40.05 91.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.13 -0.982 . . . . 0.0 108.609 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 78' ' ' VAL . 60.7 t80 -69.17 -40.33 78.21 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -60.09 -39.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 O-C-N 120.238 -1.539 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.87 -38.73 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.855 -1.153 . . . . 0.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HG13 ' A' ' 57' ' ' ILE . 42.5 tp -59.92 -56.91 15.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.175 -0.953 . . . . 0.0 112.624 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 74' ' ' PHE . 3.0 m -80.07 -21.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 O-C-N 121.734 -0.603 . . . . 0.0 111.372 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.42 -44.62 67.54 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 109.68 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.17 53.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.0 111.694 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.98 -40.01 90.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.046 . . . . 0.0 110.461 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' HD21 ' A' ' 45' ' ' LEU . 94.6 m -63.4 -43.01 98.75 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 122.124 0.964 . . . . 0.0 109.75 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' ALA . 51.7 t -61.61 -40.01 85.12 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 CA-C-O 121.434 0.635 . . . . 0.0 110.125 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.89 96.49 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.454 -0.779 . . . . 0.0 111.38 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 15.2 p -62.16 -39.92 94.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.804 -1.185 . . . . 0.0 110.586 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 40.6 t30 -60.24 -40.47 90.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.032 -1.042 . . . . 0.0 110.378 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.43 -28.63 65.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.064 -1.023 . . . . 0.0 109.706 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.94 -44.45 94.38 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 110.072 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -80.32 -15.7 56.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -66.08 -32.98 74.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.399 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.92 -39.81 86.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 109.303 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.23 -24.16 65.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.869 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.707 179.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -100.96 15.13 29.66 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -1.07 . . . . 0.0 109.643 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -60.09 -49.91 75.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.229 -0.919 . . . . 0.0 109.401 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.78 -37.29 73.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.43 -39.89 92.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.511 -0.743 . . . . 0.0 109.119 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.7 m -65.3 -20.94 66.63 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -71.12 -40.0 71.69 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 108.975 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.436 ' O ' HD12 ' B' ' 12' ' ' ILE . 27.3 ttt -70.7 -40.06 73.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 110.475 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 4.2 pt-20 -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.506 -0.747 . . . . 0.0 111.541 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.62 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.8 t -78.91 -52.66 7.98 Favored 'General case' 0 C--O 1.202 -1.424 0 O-C-N 121.196 -0.94 . . . . 0.0 112.8 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.552 ' N ' HG23 ' B' ' 10' ' ' THR . 1.9 pp -61.37 -26.8 68.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.917 -1.739 . . . . 0.0 108.625 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.436 HD12 ' O ' ' B' ' 8' ' ' MET . 76.7 mt -74.41 -33.49 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.699 -1.251 . . . . 0.0 109.843 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 90.0 m-20 -70.28 -44.02 69.26 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.168 -0.957 . . . . 0.0 111.002 -178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.474 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.5 m -69.93 -33.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.474 ' N ' HG23 ' B' ' 14' ' ' VAL . 41.7 t80 -60.09 -39.95 87.88 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.182 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -88.03 -10.45 50.25 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.07 61.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.508 -0.745 . . . . 0.0 109.266 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -101.09 -34.51 9.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.382 -0.824 . . . . 0.0 111.156 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -40.01 88.21 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.328 -0.857 . . . . 0.0 110.552 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.23 84.52 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -88.77 -21.16 23.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -1.013 . . . . 0.0 109.635 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -99.89 -1.16 38.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.286 -0.884 . . . . 0.0 110.937 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 90.05 -13.51 64.57 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 27' ' ' LYS . 97.3 m-20 -85.15 37.01 0.65 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 23' ' ' GLY . 6.5 ttmm -51.16 -19.98 1.36 Allowed 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.508 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -94.49 -14.67 24.9 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.712 -1.243 . . . . 0.0 110.586 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 24' ' ' ASP . 12.4 ttmt -149.84 151.48 33.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.88 -1.138 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.42 162.89 25.21 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 29.8 t -134.03 165.73 24.37 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.961 -1.087 . . . . 0.0 110.445 -178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -59.95 -40.02 87.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.6 -0.687 . . . . 0.0 111.293 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -74.83 -30.02 61.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.682 -1.261 . . . . 0.0 110.393 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 81.3 mt-10 -65.8 -50.78 63.44 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.216 -0.927 . . . . 0.0 111.313 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -63.22 -30.66 71.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.06 -1.025 . . . . 0.0 109.675 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 47' ' ' VAL . 35.5 tptt -59.93 -39.91 87.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 109.587 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.658 ' O ' HG23 ' B' ' 39' ' ' THR . 98.4 m-20 -71.01 -39.71 72.22 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.47 -0.769 . . . . 0.0 111.047 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.2 mt -62.97 -41.18 99.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.011 -1.055 . . . . 0.0 111.71 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.66 -41.79 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.648 -1.283 . . . . 0.0 111.265 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.487 HE21 ' N ' ' B' ' 39' ' ' THR . 0.1 OUTLIER -72.62 -10.13 59.42 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-O 121.727 0.775 . . . . 0.0 109.093 -179.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.658 HG23 ' O ' ' B' ' 35' ' ' ASP . 1.1 p -81.81 -60.65 2.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.439 -0.788 . . . . 0.0 110.684 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.1 mt-10 -111.28 -30.05 7.58 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.251 -0.905 . . . . 0.0 111.558 -178.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.655 HD21 HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -106.4 25.74 10.73 Favored 'General case' 0 N--CA 1.514 2.732 0 O-C-N 120.819 -1.175 . . . . 0.0 110.271 -177.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -60.0 -45.51 92.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 111.423 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.0 t -70.31 -39.94 74.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 111.89 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.7 -66.32 0.83 Allowed 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.683 -1.26 . . . . 0.0 110.272 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.426 HD21 ' OG1' ' B' ' 82' ' ' THR . 10.7 mp -81.81 97.72 8.13 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -56.45 140.03 47.19 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.561 HG13 ' H ' ' B' ' 48' ' ' GLN . 3.1 p -169.32 -54.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.961 -1.087 . . . . 0.0 110.239 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.561 ' H ' HG13 ' B' ' 47' ' ' VAL . 6.2 pt20 -60.56 -46.13 91.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.782 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -69.98 -39.95 75.64 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.873 -1.142 . . . . 0.0 109.728 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -104.06 81.91 1.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.161 -0.962 . . . . 0.0 109.143 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.429 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.0 -28.04 67.36 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.018 -1.051 . . . . 0.0 108.173 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.11 -35.63 75.65 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -31.54 69.73 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.48 -28.65 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.021 -1.049 . . . . 0.0 109.565 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -68.76 -39.99 80.0 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 120.94 -1.1 . . . . 0.0 108.833 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -70.13 -40.19 74.96 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.959 0.885 . . . . 0.0 109.47 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.729 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -63.73 -37.01 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mmm -73.86 -31.44 63.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.336 -0.852 . . . . 0.0 109.503 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -58.64 -40.17 82.66 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.745 -0.597 . . . . 0.0 109.961 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.04 -25.08 63.39 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.275 -0.891 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 5.2 mp -89.99 -77.55 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.793 0.806 . . . . 0.0 110.797 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' B' ' 66' ' ' ASP . 84.7 m-20 -72.99 38.29 0.08 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.391 0.615 . . . . 0.0 110.304 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' B' ' 61' ' ' LEU . 20.1 pt-20 -62.35 -13.55 30.21 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -81.55 2.07 30.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.915 -0.49 . . . . 0.0 111.216 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.43 43.03 13.25 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' B' ' 68' ' ' GLU . 18.3 p-10 -140.8 96.41 3.01 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.52 25.29 0.01 OUTLIER Glycine 0 N--CA 1.504 3.231 0 O-C-N 121.844 -0.535 . . . . 0.0 112.146 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.62 ' N ' ' O ' ' B' ' 66' ' ' ASP . 44.7 mp0 -130.04 133.64 46.86 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' PHE . 7.7 t -100.8 144.42 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.476 -0.765 . . . . 0.0 111.094 -177.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.608 ' O ' ' CG ' ' B' ' 71' ' ' PHE . 95.4 m-20 -74.76 21.38 0.11 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' B' ' 70' ' ' ASP . 14.3 p90 56.21 -39.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 123.059 0.544 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' B' ' 70' ' ' ASP . 14.3 pt20 -69.92 -34.27 73.26 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.287 -1.508 . . . . 0.0 108.56 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -60.82 -40.01 91.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.198 -0.939 . . . . 0.0 108.494 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' B' ' 78' ' ' VAL . 61.5 t80 -69.56 -40.03 77.04 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.98 -40.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.195 -1.565 . . . . 0.0 109.583 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -38.86 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.038 -1.039 . . . . 0.0 110.229 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.729 HD21 HG13 ' B' ' 57' ' ' ILE . 43.5 tp -60.05 -56.78 17.4 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.33 -0.856 . . . . 0.0 112.677 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.2 m -80.19 -21.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.686 -0.634 . . . . 0.0 111.373 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.39 -44.66 67.56 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.9 -45.2 52.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 111.743 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.67 -40.02 91.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.036 -1.04 . . . . 0.0 110.457 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.426 ' OG1' HD21 ' B' ' 45' ' ' LEU . 94.8 m -63.49 -43.06 98.36 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-O 122.074 0.94 . . . . 0.0 109.749 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 79' ' ' ALA . 46.3 t -61.44 -40.0 84.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-O 121.462 0.648 . . . . 0.0 110.071 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.49 95.88 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 111.512 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 15.5 p -62.22 -40.14 95.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.869 -1.145 . . . . 0.0 110.475 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.497 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 t30 -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.964 -1.085 . . . . 0.0 110.446 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -70.38 -28.58 65.21 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.045 -1.034 . . . . 0.0 109.742 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -44.21 94.79 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.158 -0.963 . . . . 0.0 110.03 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -80.69 -15.48 56.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.53 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -66.19 -32.83 74.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.449 -0.782 . . . . 0.0 109.378 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.09 -39.91 87.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.318 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.14 -24.17 65.87 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.151 -0.968 . . . . 0.0 109.832 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.695 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.387 2.515 . . . . 0.0 119.387 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.6 p -106.28 21.23 17.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.43 -1.041 . . . . 0.0 109.405 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.14 -48.15 82.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.151 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -73.1 -38.64 66.3 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.3 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' SER . 21.6 m -64.23 -22.98 67.14 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -66.34 -40.01 89.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.116 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mtm -79.46 -32.89 42.72 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.732 -1.23 . . . . 0.0 110.964 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.81 -33.92 71.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.2 -0.937 . . . . 0.0 110.466 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 14.9 t -76.88 -43.89 34.14 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.419 -0.801 . . . . 0.0 111.762 -177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 10' ' ' THR . 3.2 pp -73.32 -27.74 61.69 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.189 -1.569 . . . . 0.0 109.588 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.07 -37.95 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.807 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -70.01 -39.94 75.55 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.955 0.883 . . . . 0.0 109.86 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.31 -29.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.625 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 25.0 t80 -63.47 -40.02 95.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CD2' ' NZ ' ' A' ' 25' ' ' LYS . 56.7 t-80 -81.26 -12.92 58.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.08 56.57 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.115 -0.991 . . . . 0.0 109.892 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 73.2 m80 -119.91 5.54 10.91 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.413 -0.805 . . . . 0.0 111.116 -178.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 1.2 t -54.19 -8.52 0.2 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.032 -1.043 . . . . 0.0 109.45 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' HIS . . . 117.81 38.36 0.83 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 107.746 -2.142 . . . . 0.0 107.746 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -57.36 -18.22 16.33 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 12.4 pt-20 -90.49 0.15 57.43 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.556 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' GLY . . . 154.37 162.12 10.94 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.7 t0 49.96 39.41 18.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.972 -1.31 . . . . 0.0 107.92 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 51.9 tptt -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.505 0.669 . . . . 0.0 109.639 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -81.59 -10.05 59.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.269 -0.895 . . . . 0.0 108.906 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -156.87 158.22 36.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.872 . . . . 0.0 109.08 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.64 162.66 26.08 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 20.0 t -136.83 165.44 25.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.846 -1.159 . . . . 0.0 110.464 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.01 -39.67 86.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.678 -0.639 . . . . 0.0 111.489 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.52 50.95 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.461 -1.399 . . . . 0.0 110.113 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 29' ' ' SER . 79.5 mt-10 -62.77 -48.39 79.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 110.439 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -72.39 -34.14 67.69 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.346 -0.846 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.11 -37.11 79.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.122 . . . . 0.0 108.567 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 39' ' ' THR . 29.8 t0 -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.763 0.792 . . . . 0.0 109.773 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 18' ' ' HIS . 88.3 mt -65.19 -39.97 93.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.347 -0.846 . . . . 0.0 111.628 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -74.55 -43.75 54.27 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.877 -1.139 . . . . 0.0 111.231 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -70.03 -20.6 63.25 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.382 -0.824 . . . . 0.0 109.465 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 35' ' ' ASP . 3.5 p -80.34 -57.96 3.36 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.222 -0.924 . . . . 0.0 111.823 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 5.5 mt-10 -112.22 -29.48 7.55 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.393 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -110.04 25.73 11.46 Favored 'General case' 0 N--CA 1.515 2.801 0 O-C-N 120.958 -1.089 . . . . 0.0 110.431 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LEU . 10.2 p -60.02 -40.07 88.03 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.992 -1.067 . . . . 0.0 111.33 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -68.15 -40.04 82.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 111.826 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.65 -68.86 0.61 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.799 -1.188 . . . . 0.0 109.826 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.57 97.65 7.28 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' CG ' ' CE ' ' A' ' 49' ' ' LYS . 78.1 m-20 -59.39 134.29 56.87 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.44 -38.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.011 -1.056 . . . . 0.0 109.976 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.84 -59.59 3.4 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.15 -1.02 . . . . 0.0 110.81 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CE ' ' CG ' ' A' ' 46' ' ' ASP . 33.1 pttt -64.75 -43.27 93.85 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 110.735 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.2 m-20 -98.49 72.69 2.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.393 -1.442 . . . . 0.0 109.234 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.64 -19.74 2.57 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.797 -1.189 . . . . 0.0 108.004 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 50' ' ' ASP . 11.1 p-10 -73.64 -26.38 60.74 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.55 -36.35 82.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.815 -0.553 . . . . 0.0 109.658 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 51' ' ' ALA . 7.6 p -78.28 -25.72 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.05 -40.0 75.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.648 -1.282 . . . . 0.0 108.412 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -70.07 -38.23 75.68 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.055 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.93 66.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.5 mmm -70.94 -32.83 69.83 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.072 0.939 . . . . 0.0 108.779 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -60.03 -45.89 91.29 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.581 0.705 . . . . 0.0 109.627 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.96 -39.25 69.51 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.988 0.899 . . . . 0.0 108.987 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.29 -79.74 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.564 0.697 . . . . 0.0 109.321 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 62.4 t0 -77.63 60.77 2.23 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.33 -13.73 1.52 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.5 t30 -79.24 -15.96 57.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.3 27.34 73.75 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 2.6 p30 -87.1 -5.33 59.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.147 -1.208 . . . . 0.0 109.91 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 75.85 0.49 64.47 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 40.6 mt-10 -127.87 145.46 50.94 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.369 -1.077 . . . . 0.0 108.721 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 t -113.81 149.88 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.745 0.783 . . . . 0.0 110.397 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -93.58 19.99 7.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.357 -0.839 . . . . 0.0 109.179 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 57.1 t80 66.75 -44.68 0.44 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 122.202 -0.311 . . . . 0.0 111.213 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.79 -38.6 91.72 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.365 -1.459 . . . . 0.0 109.212 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.93 -39.95 87.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.768 -1.208 . . . . 0.0 109.02 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 78' ' ' VAL . 34.6 t80 -67.85 -40.12 83.73 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 3.1 p -69.67 -40.07 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.669 -1.269 . . . . 0.0 112.526 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' B' ' 76' ' ' VAL . 74.5 t -70.06 -40.11 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.341 -1.475 . . . . 0.0 111.277 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -65.35 -56.0 15.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 111.628 -176.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 74' ' ' PHE . 26.9 m -73.52 -22.11 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.263 -0.898 . . . . 0.0 111.057 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -62.93 -50.4 71.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.027 -1.045 . . . . 0.0 109.0 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.1 91.89 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.56 -0.713 . . . . 0.0 111.591 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.46 -50.04 75.16 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.652 -1.28 . . . . 0.0 111.305 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.0 m -64.15 -40.02 95.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.011 -1.055 . . . . 0.0 111.056 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.6 t -59.93 -44.03 93.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 121.288 -0.883 . . . . 0.0 109.721 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.6 82.81 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.075 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 39.3 m -59.92 -40.05 87.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -59.94 -40.08 87.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.838 -1.164 . . . . 0.0 109.187 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.86 -20.96 61.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.147 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.508 -0.745 . . . . 0.0 109.307 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -68.74 -28.27 66.66 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -75.99 -11.89 60.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.455 -0.778 . . . . 0.0 110.092 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -38.2 82.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.093 -1.005 . . . . 0.0 109.448 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.98 -39.97 87.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.302 -1.477 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.473 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.541 2.576 . . . . 0.0 119.541 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.437 ' O ' ' N ' ' B' ' 6' ' ' THR . 9.1 p -106.16 21.21 17.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -1.127 . . . . 0.0 109.454 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -59.92 -48.36 82.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.961 . . . . 0.0 109.218 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -73.01 -38.4 66.61 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -64.59 -40.04 94.81 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.437 ' N ' ' O ' ' B' ' 2' ' ' SER . 20.7 m -64.16 -23.05 67.18 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -66.32 -39.79 89.49 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.531 -0.73 . . . . 0.0 110.16 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtm -79.45 -33.12 42.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.878 -1.139 . . . . 0.0 110.891 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.405 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 5.4 pt-20 -70.61 -33.82 71.45 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 110.48 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.605 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 14.9 t -76.98 -43.96 32.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.495 -0.753 . . . . 0.0 111.786 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -73.43 -27.48 61.46 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.236 -1.54 . . . . 0.0 109.447 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.41 -37.74 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.044 -1.035 . . . . 0.0 109.964 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.1 m-20 -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.0 0.905 . . . . 0.0 109.936 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.22 -28.84 26.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 24.5 t80 -63.91 -40.04 95.58 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' B' ' 25' ' ' LYS . 56.1 t-80 -81.21 -13.08 58.93 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.63 -37.57 56.12 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.043 -1.036 . . . . 0.0 109.918 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' B' ' 20' ' ' GLY . 73.4 m80 -119.68 5.32 11.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.436 ' HB3' ' HZ2' ' B' ' 25' ' ' LYS . 1.2 t -54.03 -8.91 0.21 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.097 -1.002 . . . . 0.0 109.393 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 18' ' ' HIS . . . 117.96 38.95 0.78 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -57.95 -17.96 20.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' B' ' 20' ' ' GLY . 12.4 pt-20 -90.68 -0.06 57.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.453 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' B' ' 20' ' ' GLY . . . 154.78 162.14 11.01 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.0 t0 49.98 39.42 18.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.964 -1.315 . . . . 0.0 107.792 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 16' ' ' HIS . 51.4 tptt -79.67 -10.03 59.73 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.593 0.711 . . . . 0.0 109.623 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -81.63 -10.09 59.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 108.986 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -156.92 158.08 36.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.395 -0.815 . . . . 0.0 108.982 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -78.37 162.63 26.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 16.8 t -136.38 165.85 24.83 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.837 -1.164 . . . . 0.0 110.537 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.716 -0.615 . . . . 0.0 111.693 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -30.69 49.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.542 -1.349 . . . . 0.0 110.081 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 29' ' ' SER . 79.3 mt-10 -62.62 -48.38 79.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.456 -0.777 . . . . 0.0 110.488 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.2 pp -72.37 -34.17 67.76 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.465 -0.772 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.11 -37.06 78.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 108.617 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.557 ' O ' HG23 ' B' ' 39' ' ' THR . 29.1 t0 -64.43 -39.55 94.05 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.692 0.758 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' B' ' 18' ' ' HIS . 89.9 mt -65.51 -40.03 92.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' B' ' 42' ' ' SER . 33.4 mt -74.62 -43.8 53.71 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.851 -1.156 . . . . 0.0 111.277 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.77 -20.9 63.47 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.329 -0.857 . . . . 0.0 109.434 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 35' ' ' ASP . 3.3 p -79.96 -58.03 3.36 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.219 -0.926 . . . . 0.0 111.95 -178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 5.6 mt-10 -112.32 -29.48 7.52 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.069 -1.02 . . . . 0.0 112.373 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.46 HD12 ' C ' ' B' ' 40' ' ' GLU . 11.0 mp -109.95 25.46 11.76 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 121.005 -1.06 . . . . 0.0 110.489 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 37' ' ' LEU . 10.0 p -60.02 -40.07 88.02 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.981 . . . . 0.0 111.402 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -67.99 -39.98 83.14 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.969 -1.082 . . . . 0.0 111.844 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -78.65 -68.55 0.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.806 -1.183 . . . . 0.0 109.87 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.1 97.7 7.67 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' CE ' ' B' ' 49' ' ' LYS . 77.6 m-20 -59.45 134.11 56.71 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 118.502 -1.279 . . . . 0.0 107.582 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.3 -38.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.97 -1.081 . . . . 0.0 109.946 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.89 -59.22 3.71 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.865 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.406 ' CE ' ' CG ' ' B' ' 46' ' ' ASP . 33.9 pttt -65.33 -42.78 92.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.388 -0.82 . . . . 0.0 110.662 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' B' ' 53' ' ' ALA . 92.5 m-20 -98.78 72.68 1.98 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.544 -1.348 . . . . 0.0 109.329 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -52.92 -19.5 2.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.755 -1.216 . . . . 0.0 107.887 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -73.62 -26.83 60.97 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.34 -38.73 87.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.699 -0.626 . . . . 0.0 109.34 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -76.56 -25.51 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.371 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.38 -39.88 74.28 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 120.614 -1.304 . . . . 0.0 108.417 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -70.0 -38.32 75.92 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.886 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -33.82 65.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mmm -70.72 -32.91 70.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.127 0.965 . . . . 0.0 108.8 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -60.01 -45.75 91.73 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.672 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -72.11 -39.32 68.97 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.928 0.87 . . . . 0.0 108.957 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.02 -79.81 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.619 0.723 . . . . 0.0 109.384 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 63.3 t0 -77.7 60.91 2.3 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.42 -13.71 1.59 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' B' ' 62' ' ' ASP . 59.9 t30 -79.22 -15.83 57.44 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.2 27.2 73.98 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 2.6 p30 -87.0 -5.35 59.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.047 -1.266 . . . . 0.0 109.998 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 75.68 1.08 65.32 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 40.4 mt-10 -128.12 145.72 50.92 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.405 -1.056 . . . . 0.0 108.643 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.6 t -114.1 149.99 16.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-O 121.574 0.702 . . . . 0.0 110.456 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -93.83 20.05 8.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 56.3 t80 66.72 -44.88 0.44 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 122.237 -0.289 . . . . 0.0 111.188 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.58 -38.71 92.18 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.387 -1.446 . . . . 0.0 109.2 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.781 -1.199 . . . . 0.0 108.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.781 ' O ' HG22 ' B' ' 78' ' ' VAL . 33.9 t80 -67.64 -39.92 84.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -177.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 2.8 p -69.54 -40.98 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.585 -1.322 . . . . 0.0 112.375 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.437 HG13 HG13 ' A' ' 76' ' ' VAL . 72.9 t -69.45 -40.0 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.683 -1.261 . . . . 0.0 111.227 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.64 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -65.58 -56.11 14.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.171 -0.956 . . . . 0.0 111.794 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.781 HG22 ' O ' ' B' ' 74' ' ' PHE . 27.3 m -73.49 -22.18 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.26 -0.9 . . . . 0.0 111.031 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -62.8 -50.6 70.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.014 -1.054 . . . . 0.0 108.957 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.71 -40.0 91.81 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.466 -0.772 . . . . 0.0 111.626 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.27 -50.02 75.3 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.632 -1.292 . . . . 0.0 111.389 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.0 m -64.16 -40.14 95.49 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 110.865 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.8 t -60.03 -43.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.33 -0.856 . . . . 0.0 109.707 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.33 83.01 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.644 -0.66 . . . . 0.0 109.938 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.005 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -60.04 -40.08 88.13 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.785 -1.197 . . . . 0.0 109.066 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.08 -20.89 61.59 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.188 -0.945 . . . . 0.0 109.228 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.35 -39.94 88.92 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.461 -0.774 . . . . 0.0 109.303 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -68.88 -28.06 66.36 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.21 -11.68 59.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 110.082 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -38.38 82.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.074 -1.016 . . . . 0.0 109.49 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.91 -40.0 87.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.526 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.592 ' HA3' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.965 0 N-CA-C 118.678 2.231 . . . . 0.0 118.678 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.413 ' OG ' ' OE2' ' A' ' 3' ' ' GLU . 28.9 t -106.52 -85.8 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.193 -1.18 . . . . 0.0 110.85 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 12.4 mm-40 -101.64 -58.01 1.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.609 0.718 . . . . 0.0 112.187 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -60.04 -40.3 88.9 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.81 -177.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.592 ' OE1' ' HA3' ' A' ' 1' ' ' GLY . 59.0 tt0 -64.91 -40.03 94.43 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.671 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.6 m -62.93 -21.76 66.28 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.482 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -69.66 -35.33 75.07 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.654 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mtt -81.54 -34.7 30.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.796 -1.19 . . . . 0.0 110.152 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.11 -28.11 65.13 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 122.495 1.141 . . . . 0.0 108.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -69.72 -58.0 4.44 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.625 -177.501 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.37 -26.98 63.03 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.084 -1.046 . . . . 0.0 111.117 -178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.95 -38.64 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.797 -1.189 . . . . 0.0 109.673 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -70.69 -40.01 73.15 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.878 0.847 . . . . 0.0 110.019 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -29.22 29.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 16.2 t80 -64.3 -40.05 95.16 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -87.84 -6.72 57.97 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.56 28.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.841 -1.162 . . . . 0.0 110.124 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -109.25 -30.18 8.13 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.355 -0.841 . . . . 0.0 111.083 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 96.6 p -60.93 -17.03 48.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.074 -1.016 . . . . 0.0 110.987 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.54 21.43 3.42 Favored Glycine 0 N--CA 1.502 3.043 0 O-C-N 120.947 -1.096 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -72.44 -27.37 62.28 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.155 -1.203 . . . . 0.0 108.199 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' A' ' 31' ' ' LYS . 98.9 mt-10 -108.28 -24.95 11.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.778 -0.576 . . . . 0.0 111.06 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.13 -162.52 21.89 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 49.9 37.89 14.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.011 -1.288 . . . . 0.0 108.28 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -81.17 6.01 15.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.726 -0.609 . . . . 0.0 110.317 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -71.05 -18.48 62.56 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -158.3 160.33 36.9 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 28' ' ' LEU . 33.2 tp -82.15 168.69 17.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.638 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 24.9 m -137.46 166.58 23.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.873 -1.142 . . . . 0.0 110.264 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.382 -0.824 . . . . 0.0 111.936 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -74.98 -29.97 61.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.457 -1.402 . . . . 0.0 110.579 -177.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 29' ' ' SER . 47.7 mt-10 -64.7 -51.01 64.68 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.221 -0.925 . . . . 0.0 111.476 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -68.98 -35.23 76.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.472 -0.767 . . . . 0.0 111.705 -178.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.566 ' NZ ' HE22 ' A' ' 38' ' ' GLN . 45.1 tttm -60.68 -40.07 90.8 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 109.81 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.895 ' O ' HG22 ' A' ' 39' ' ' THR . 57.6 t0 -63.14 -40.03 96.4 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.168 -0.957 . . . . 0.0 109.596 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.89 -39.71 86.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.67 . . . . 0.0 111.009 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.485 -1.385 . . . . 0.0 110.385 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.566 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 94.3 mt-30 -63.18 -38.97 93.28 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.268 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -75.02 -49.77 18.72 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.384 -1.447 . . . . 0.0 113.208 -177.047 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.554 ' C ' HD12 ' A' ' 41' ' ' LEU . 14.9 mt-10 -109.36 -28.55 8.9 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.624 -1.298 . . . . 0.0 113.153 -176.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.1 mp -111.25 25.6 11.56 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.786 -1.196 . . . . 0.0 111.387 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.6 p -60.13 -47.31 86.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.519 -1.363 . . . . 0.0 111.407 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.5 m -62.84 -40.08 96.32 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.886 -1.134 . . . . 0.0 111.318 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -79.49 -69.98 0.54 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.679 -1.263 . . . . 0.0 110.228 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 45' ' ' LEU . 11.1 mp -82.85 96.27 8.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.97 98.0 0.05 Allowed 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.386 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.05 -18.21 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -79.88 -70.02 0.54 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 112.928 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.468 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -57.61 -47.15 82.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.892 -1.13 . . . . 0.0 110.297 -176.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' ALA . 95.7 m-20 -94.71 76.63 3.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.462 -1.399 . . . . 0.0 109.075 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.54 -23.64 41.43 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -66.06 -35.46 80.6 Favored 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -55.31 -27.44 46.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -79.52 -28.06 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.029 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -70.66 -40.01 73.27 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.755 -1.216 . . . . 0.0 108.04 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 2.9 mptp? -67.89 -40.34 83.52 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.94 0.876 . . . . 0.0 109.937 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -39.37 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.2 mmm -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.623 0.725 . . . . 0.0 110.148 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -59.99 -39.92 87.4 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -64.65 -39.0 92.93 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 74' ' ' PHE . 6.6 mp -78.04 -67.66 0.71 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.527 -0.733 . . . . 0.0 109.38 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 94.1 m-20 -80.9 40.58 0.54 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.371 -0.831 . . . . 0.0 109.195 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.7 -19.64 1.7 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 19.6 m120 -85.26 -3.0 58.67 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.713 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.14 32.05 65.98 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' A' ' 68' ' ' GLU . 7.3 m-20 -80.74 -18.11 48.81 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.152 -1.205 . . . . 0.0 110.177 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.34 -3.51 2.43 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 108.389 -1.884 . . . . 0.0 108.389 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.4 mt-10 -130.51 150.02 51.92 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.8 t -119.98 149.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.757 0.789 . . . . 0.0 111.739 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.5 m-20 -88.99 17.78 5.46 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 78.1 t80 62.92 -37.66 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 122.235 -0.291 . . . . 0.0 110.47 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.4 mt-30 -67.43 -38.88 85.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.646 -1.284 . . . . 0.0 108.239 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.19 -40.02 88.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 109.074 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.5 t80 -64.82 -47.14 79.09 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.539 -0.725 . . . . 0.0 112.829 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.6 p -60.08 -39.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.815 -1.178 . . . . 0.0 111.594 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.22 -39.93 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.527 -1.358 . . . . 0.0 111.123 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.27 -57.18 9.1 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.873 -1.142 . . . . 0.0 111.645 -176.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 74' ' ' PHE . 3.6 m -73.54 -22.45 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.033 -1.042 . . . . 0.0 111.311 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -65.68 -48.27 72.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.776 -1.202 . . . . 0.0 109.188 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.03 -39.89 75.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 111.461 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD23 ' A' ' 81' ' ' LEU . 8.3 tt -61.41 -51.2 69.76 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.922 -1.111 . . . . 0.0 111.072 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 83' ' ' VAL . 12.9 t -63.02 -39.15 93.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.056 -1.027 . . . . 0.0 110.547 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 79' ' ' ALA . 56.1 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.067 -1.02 . . . . 0.0 109.608 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.468 -0.77 . . . . 0.0 111.439 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.2 p -65.2 -40.04 93.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.756 -1.215 . . . . 0.0 109.435 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.517 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 45.7 t30 -60.32 -39.88 88.61 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.492 -0.755 . . . . 0.0 110.402 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.539 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 53.4 t-20 -67.55 -36.61 81.3 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 109.017 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.89 -40.38 88.55 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.601 -0.687 . . . . 0.0 110.635 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -84.57 9.56 13.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.426 -0.797 . . . . 0.0 109.995 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 0.4 OUTLIER -67.89 -16.12 63.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.981 -1.074 . . . . 0.0 109.698 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 90' ' ' TRP . 98.9 mt-10 -60.6 -40.1 90.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.135 -0.978 . . . . 0.0 109.368 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -60.41 -39.96 89.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.211 -0.931 . . . . 0.0 108.639 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.389 -179.564 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.609 ' HA3' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.819 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.406 ' OG ' ' OE2' ' B' ' 3' ' ' GLU . 29.4 t -106.53 -86.02 0.49 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.163 . . . . 0.0 110.911 -178.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.406 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 12.5 mm-40 -101.49 -57.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.552 0.691 . . . . 0.0 112.161 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -60.04 -40.51 89.62 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.562 -0.711 . . . . 0.0 109.721 -177.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.609 ' OE1' ' HA3' ' B' ' 1' ' ' GLY . 61.2 tt0 -64.91 -39.97 94.35 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.769 -1.172 . . . . 0.0 108.677 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . 20.8 m -62.88 -21.64 66.14 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -70.07 -35.2 74.04 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.603 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.6 mtt -81.6 -34.27 31.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.672 -1.268 . . . . 0.0 110.102 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.29 -28.16 64.98 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 122.481 1.134 . . . . 0.0 108.069 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 0.7 OUTLIER -69.62 -58.39 3.99 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.739 -177.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.99 -26.58 63.2 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.015 -1.053 . . . . 0.0 111.023 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.3 mt -71.67 -37.76 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.769 -1.207 . . . . 0.0 109.771 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.39 -40.04 70.79 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.908 0.861 . . . . 0.0 109.954 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.87 -28.75 27.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 16.5 t80 -64.47 -40.03 94.93 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.2 -5.94 58.12 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.62 26.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.87 -1.143 . . . . 0.0 110.054 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.0 -30.3 8.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.233 -0.917 . . . . 0.0 111.046 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 94.0 p -60.68 -17.49 48.15 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.06 -1.025 . . . . 0.0 110.979 -178.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.21 21.48 3.48 Favored Glycine 0 N--CA 1.503 3.102 0 C-N-CA 120.057 -1.068 . . . . 0.0 110.436 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -72.3 -27.41 62.43 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.192 -1.181 . . . . 0.0 108.28 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.46 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 98.7 mt-10 -108.31 -24.85 11.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.79 -0.568 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.8 -162.65 21.64 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 108.315 -1.914 . . . . 0.0 108.315 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 49.99 37.74 14.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.026 -1.279 . . . . 0.0 108.247 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -81.08 5.84 15.43 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.84 -18.91 62.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -158.08 160.07 36.97 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' B' ' 29' ' ' SER . 34.6 tp -82.16 168.73 17.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.803 -1.185 . . . . 0.0 108.548 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.546 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 31.0 m -137.27 166.65 23.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.822 -1.173 . . . . 0.0 110.273 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -59.99 -40.05 87.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.454 -0.779 . . . . 0.0 111.845 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.46 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -75.0 -29.61 60.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.562 -1.336 . . . . 0.0 110.718 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' B' ' 29' ' ' SER . 47.7 mt-10 -64.95 -50.95 64.41 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.266 -0.896 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -69.06 -35.04 76.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.584 -0.698 . . . . 0.0 111.704 -178.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.619 ' NZ ' HE22 ' B' ' 38' ' ' GLN . 45.9 tttm -60.8 -40.46 92.73 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 120.864 -1.147 . . . . 0.0 109.737 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.905 ' O ' HG22 ' B' ' 39' ' ' THR . 58.6 t0 -62.74 -40.06 96.05 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.08 -1.013 . . . . 0.0 109.681 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.529 -0.732 . . . . 0.0 111.003 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.0 -40.04 63.21 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 120.531 -1.356 . . . . 0.0 110.383 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.619 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 94.9 mt-30 -63.09 -39.3 94.31 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.293 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.905 HG22 ' O ' ' B' ' 35' ' ' ASP . 0.0 OUTLIER -74.79 -49.57 20.33 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.336 -1.477 . . . . 0.0 113.264 -177.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.6 mt-10 -109.12 -29.01 8.75 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.581 -1.324 . . . . 0.0 113.275 -176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.0 mp -111.25 25.84 11.3 Favored 'General case' 0 N--CA 1.52 3.066 0 O-C-N 120.728 -1.232 . . . . 0.0 111.393 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p -59.95 -47.8 84.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.553 -1.342 . . . . 0.0 111.415 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -62.33 -40.02 94.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.826 -1.171 . . . . 0.0 111.479 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -79.63 -70.04 0.54 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.843 -1.16 . . . . 0.0 110.301 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.505 HD12 ' N ' ' B' ' 45' ' ' LEU . 11.2 mp -83.1 96.78 8.49 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.48 98.12 0.06 Allowed 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.6 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -115.12 -17.95 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -80.08 -69.98 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.013 -1.054 . . . . 0.0 113.012 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -57.49 -47.05 82.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.033 . . . . 0.0 110.341 -177.065 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.0 m-20 -94.74 76.16 3.68 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.468 -1.395 . . . . 0.0 109.109 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.1 -23.98 37.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -66.03 -35.41 80.47 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -55.59 -26.74 45.42 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -80.02 -27.81 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 110.263 -179.58 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -70.78 -40.04 72.83 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.781 -1.199 . . . . 0.0 108.04 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' B' ' 56' ' ' LYS . 2.7 mptp? -67.88 -40.61 83.51 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 122.005 0.907 . . . . 0.0 109.842 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -39.45 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.41 -28.57 62.07 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.575 -0.703 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -59.97 -40.02 87.65 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.41 -39.86 94.66 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 74' ' ' PHE . 6.6 mp -77.36 -67.68 0.69 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.54 -0.725 . . . . 0.0 109.574 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 93.2 m-20 -81.01 40.92 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.307 -0.871 . . . . 0.0 109.145 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -51.93 -19.44 1.78 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' B' ' 62' ' ' ASP . 20.0 m120 -85.45 -2.94 58.65 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.751 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.96 32.2 66.38 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 68' ' ' GLU . 7.9 m-20 -80.84 -18.35 47.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -1.17 . . . . 0.0 110.134 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.22 -3.06 2.56 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.6 mt-10 -130.66 150.01 52.04 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.0 t -120.05 149.53 22.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 CA-C-O 121.775 0.798 . . . . 0.0 111.747 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' B' ' 72' ' ' GLN . 50.6 m-20 -88.7 17.59 5.4 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.63 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 78.3 t80 63.16 -37.71 0.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 122.168 -0.332 . . . . 0.0 110.515 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-30 -67.37 -38.94 85.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.564 -1.335 . . . . 0.0 108.196 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -60.24 -40.11 89.09 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.968 -1.083 . . . . 0.0 109.101 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.673 ' CE1' HG21 ' B' ' 78' ' ' VAL . 64.8 t80 -64.49 -47.49 78.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.39 -0.819 . . . . 0.0 112.846 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.9 p -59.99 -39.99 81.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 111.473 -176.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.78 -40.09 80.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.275 . . . . 0.0 111.306 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.75 -57.43 8.03 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.832 -1.168 . . . . 0.0 111.609 -177.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' B' ' 74' ' ' PHE . 3.6 m -72.91 -22.5 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.065 -1.022 . . . . 0.0 111.348 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -66.19 -47.38 74.11 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.732 -1.23 . . . . 0.0 109.321 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.66 72.73 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 111.221 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.617 ' C ' HD23 ' B' ' 81' ' ' LEU . 8.3 tt -61.19 -51.71 67.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.943 -1.098 . . . . 0.0 111.066 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 83' ' ' VAL . 13.5 t -62.36 -39.61 93.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.914 -1.117 . . . . 0.0 110.423 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 51.5 t -60.05 -41.41 86.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.128 -0.982 . . . . 0.0 109.551 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.46 89.53 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.415 -0.803 . . . . 0.0 111.24 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.0 p -64.72 -39.98 94.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.65 -1.281 . . . . 0.0 109.483 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.504 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 46.2 t30 -60.58 -40.04 90.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.352 -0.843 . . . . 0.0 110.471 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 53.3 t-20 -67.24 -36.85 82.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.159 -0.963 . . . . 0.0 109.105 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.0 -40.12 88.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.659 . . . . 0.0 110.623 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -84.63 9.91 12.52 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.025 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.531 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 0.4 OUTLIER -68.36 -16.09 63.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.987 -1.071 . . . . 0.0 109.631 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.44 ' N ' ' CD1' ' B' ' 90' ' ' TRP . 99.5 mt-10 -60.46 -40.04 89.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.361 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.38 -39.89 88.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 0.0 108.678 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.271 -179.704 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.77 0 N-CA-C 119.706 2.643 . . . . 0.0 119.706 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' THR . 7.3 p -103.37 24.79 10.45 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.269 -1.136 . . . . 0.0 108.918 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.76 -48.93 79.58 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.283 -0.885 . . . . 0.0 109.501 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.3 tt -73.35 -39.97 64.79 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -63.07 -22.76 67.08 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -68.01 -39.73 83.11 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.369 -0.832 . . . . 0.0 109.779 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.51 -35.81 53.12 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.703 -1.248 . . . . 0.0 110.853 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.35 -32.77 70.61 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.285 -0.884 . . . . 0.0 110.834 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 7' ' ' ALA . 11.7 t -76.82 -45.53 28.27 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.233 -0.917 . . . . 0.0 111.736 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 10' ' ' THR . 3.1 pp -71.28 -27.02 63.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.311 -1.493 . . . . 0.0 109.425 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.422 HD13 HD22 ' B' ' 86' ' ' ASN . 82.0 mt -74.47 -35.27 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.849 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.47 -42.84 70.88 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.992 0.901 . . . . 0.0 109.946 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.94 -32.94 53.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.581 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 64.3 t80 -60.92 -40.01 91.53 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -85.11 -11.49 55.05 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.94 57.66 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.171 -0.955 . . . . 0.0 109.781 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 58.2 t-80 -101.19 -36.48 8.92 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.267 -0.895 . . . . 0.0 110.907 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 m -55.65 -30.82 61.66 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.165 -0.959 . . . . 0.0 110.282 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.75 2.59 70.01 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -81.53 -26.26 35.23 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.496 -1.002 . . . . 0.0 109.749 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -96.95 -4.95 39.04 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.293 -0.879 . . . . 0.0 111.313 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . 92.48 -12.38 69.87 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -87.03 37.82 0.78 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' GLY . 26.9 ttpt -56.12 -12.32 1.47 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.127 -178.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 64.2 t80 -88.26 -12.27 44.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.781 -1.199 . . . . 0.0 109.642 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.41 162.59 30.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.5 tp -81.97 162.65 22.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.849 -1.157 . . . . 0.0 108.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 7.4 m -131.9 163.81 27.48 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.163 -0.961 . . . . 0.0 109.11 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.933 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.71 -34.68 62.63 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.717 -1.24 . . . . 0.0 110.388 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 29' ' ' SER . 92.1 mt-10 -60.12 -49.67 76.74 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.466 -0.771 . . . . 0.0 111.193 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -68.06 -30.76 70.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.911 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.99 -39.96 93.99 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.834 -1.166 . . . . 0.0 109.473 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 39' ' ' THR . 92.4 m-20 -63.73 -40.07 95.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.371 -0.83 . . . . 0.0 110.298 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.87 -40.01 94.46 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.176 -0.953 . . . . 0.0 111.145 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' SER . 17.9 mt -73.85 -42.53 60.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.786 -1.197 . . . . 0.0 111.445 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.53 -16.95 61.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.401 -0.812 . . . . 0.0 109.617 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ASP . 6.9 p -84.37 -57.01 3.33 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.079 -1.013 . . . . 0.0 111.154 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 13.2 mt-10 -110.35 -29.9 7.92 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.054 -1.029 . . . . 0.0 112.395 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.27 24.54 12.86 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.883 -1.135 . . . . 0.0 109.838 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' LEU . 3.7 p -60.06 -45.67 92.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.9 m -63.18 -41.82 99.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.223 -0.923 . . . . 0.0 110.851 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -70.0 0.55 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.082 -1.011 . . . . 0.0 110.539 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.1 mm? -77.19 87.27 3.64 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -51.85 106.16 0.14 Allowed 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.949 -1.1 . . . . 0.0 109.06 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 p -123.9 -19.87 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.517 -0.74 . . . . 0.0 109.734 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.31 -60.84 1.96 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.98 . . . . 0.0 112.142 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.97 -46.65 88.74 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.918 -1.114 . . . . 0.0 110.105 -177.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 88.0 m-20 -97.42 77.25 2.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.469 -1.395 . . . . 0.0 109.697 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.62 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.35 -19.41 14.44 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.67 -27.63 61.34 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.74 -32.79 73.05 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.498 -0.751 . . . . 0.0 109.679 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 51' ' ' ALA . 6.4 p -79.83 -29.56 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 119.212 -0.995 . . . . 0.0 109.901 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.71 -40.08 94.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.724 -1.235 . . . . 0.0 108.057 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.48 -39.93 73.93 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -40.13 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.508 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 61' ' ' LEU . 5.1 ppp? -81.99 -32.87 30.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.667 -1.27 . . . . 0.0 110.101 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' ' SD ' ' A' ' 58' ' ' MET . 36.1 ttpt -60.08 -43.83 95.2 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.069 -1.019 . . . . 0.0 111.022 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.94 -40.02 87.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.81 . . . . 0.0 111.805 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.021 HD23 ' N ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -94.44 -22.66 18.14 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.873 -1.142 . . . . 0.0 110.342 -178.262 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 1.021 ' N ' HD23 ' A' ' 61' ' ' LEU . 27.3 t70 -83.38 46.26 1.12 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.81 -1.181 . . . . 0.0 108.473 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.97 -13.83 3.05 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -75.57 -4.0 37.44 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.9 23.41 1.04 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 28.0 p-10 -90.22 1.35 56.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -1.001 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.78 10.14 7.97 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 66' ' ' ASP . 97.7 mt-10 -130.73 146.58 52.23 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 71' ' ' PHE . 23.7 t -115.69 137.32 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 CA-C-O 121.754 0.788 . . . . 0.0 110.319 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.2 m-20 -78.28 15.11 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 40.3 t80 62.07 -43.71 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 95.9 mt-30 -60.1 -39.88 87.7 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.266 -1.521 . . . . 0.0 108.026 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 61' ' ' LEU . 75.7 mt-10 -60.19 -39.94 88.3 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' HG21 ' A' ' 78' ' ' VAL . 65.0 t80 -60.15 -44.51 94.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.72 -0.612 . . . . 0.0 111.486 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.99 -40.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.73 -1.231 . . . . 0.0 110.987 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.35 -39.95 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 O-C-N 120.111 -1.618 . . . . 0.0 111.216 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -57.68 4.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.992 -1.068 . . . . 0.0 112.789 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.77 HG21 ' CE2' ' A' ' 74' ' ' PHE . 24.0 m -77.96 -25.01 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.384 -0.822 . . . . 0.0 112.45 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -42.04 73.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.288 -1.507 . . . . 0.0 109.093 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.06 75.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.206 -0.934 . . . . 0.0 111.003 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -65.15 -49.13 71.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.963 -1.085 . . . . 0.0 110.745 -178.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.8 t -67.31 -40.01 85.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.835 -1.165 . . . . 0.0 111.668 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' N ' HG23 ' A' ' 82' ' ' THR . 55.3 t -63.31 -47.03 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 110.186 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.12 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.796 -0.565 . . . . 0.0 110.187 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.8 m -63.98 -40.01 95.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.408 -0.808 . . . . 0.0 111.239 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.414 HD22 HD13 ' B' ' 12' ' ' ILE . 50.5 t-20 -60.08 -47.83 84.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.006 -1.059 . . . . 0.0 110.996 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 27.4 p30 -81.03 -14.74 57.59 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.019 -1.051 . . . . 0.0 110.316 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -88.63 -16.38 32.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.377 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -82.46 -39.49 22.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.034 -1.041 . . . . 0.0 109.716 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -89.48 -17.73 28.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 0.0 110.526 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -66.83 -39.99 87.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.742 -1.224 . . . . 0.0 108.861 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -82.97 -12.5 57.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.864 . . . . 0.0 109.333 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.603 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.686 2.635 . . . . 0.0 119.686 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.55 ' O ' ' N ' ' B' ' 6' ' ' THR . 7.3 p -103.51 25.14 10.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.377 -1.072 . . . . 0.0 109.026 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -60.88 -49.01 79.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.288 -0.883 . . . . 0.0 109.403 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 1.2 tt -73.2 -39.9 65.19 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -63.72 -40.0 95.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' SER . 19.1 m -63.07 -22.78 67.09 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 10' ' ' THR . . . -67.9 -39.73 83.58 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.443 -0.785 . . . . 0.0 109.836 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.482 ' N ' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -77.68 -35.74 51.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.733 -1.229 . . . . 0.0 110.815 -179.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.52 -32.74 70.32 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.21 -0.931 . . . . 0.0 110.806 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 7' ' ' ALA . 11.5 t -76.72 -45.63 28.57 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 111.644 -177.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' HG23 ' B' ' 10' ' ' THR . 3.1 pp -71.18 -26.99 63.21 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.283 -1.511 . . . . 0.0 109.41 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.414 HD13 HD22 ' A' ' 86' ' ' ASN . 81.9 mt -74.66 -35.0 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 120.949 -1.094 . . . . 0.0 109.925 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -71.09 -42.63 69.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.254 -0.904 . . . . 0.0 109.907 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.99 -32.84 52.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 63.8 t80 -61.01 -40.02 91.97 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -84.9 -11.6 55.25 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.44 -40.06 58.09 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.133 -0.979 . . . . 0.0 109.797 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.537 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 58.1 t-80 -100.75 -36.79 8.98 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 110.947 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.1 m -55.65 -30.71 61.47 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.174 -0.954 . . . . 0.0 110.401 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.69 2.42 69.97 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.49 -26.09 35.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.571 -0.958 . . . . 0.0 109.718 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -97.0 -5.02 38.73 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.249 -0.907 . . . . 0.0 111.222 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . 92.55 -12.37 69.93 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -86.93 37.71 0.77 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 23' ' ' GLY . 26.9 ttpt -56.15 -12.29 1.47 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.224 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -88.1 -12.47 44.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.695 -1.253 . . . . 0.0 109.643 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' B' ' 28' ' ' LEU . 3.2 ttpm? -161.35 162.62 30.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.425 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' B' ' 33' ' ' LEU . 35.8 tp -81.88 162.43 22.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.782 -1.199 . . . . 0.0 108.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 6.5 m -131.57 163.91 26.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.066 -1.021 . . . . 0.0 109.077 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.16 87.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 111.047 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -75.0 -34.37 61.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 110.385 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' B' ' 29' ' ' SER . 92.4 mt-10 -60.37 -49.38 77.81 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 121.428 -0.795 . . . . 0.0 111.09 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -68.23 -30.86 70.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.391 -0.818 . . . . 0.0 110.894 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.93 -40.01 94.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.768 -1.207 . . . . 0.0 109.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.634 ' O ' HG23 ' B' ' 39' ' ' THR . 92.8 m-20 -63.51 -39.91 95.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 0.0 110.601 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -39.98 92.62 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.2 mt -73.53 -42.88 61.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.696 -1.253 . . . . 0.0 111.499 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -72.42 -16.58 61.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 109.713 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.634 HG23 ' O ' ' B' ' 35' ' ' ASP . 7.0 p -84.76 -56.89 3.35 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.188 -0.945 . . . . 0.0 111.115 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 12.3 mt-10 -110.33 -29.89 7.93 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.112 -0.992 . . . . 0.0 112.306 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -110.25 24.24 13.25 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.874 -1.141 . . . . 0.0 109.896 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.544 ' N ' ' O ' ' B' ' 37' ' ' LEU . 3.9 p -60.01 -45.56 92.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.119 -0.988 . . . . 0.0 111.024 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 53.1 m -63.28 -41.69 99.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.976 . . . . 0.0 110.983 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.99 -69.95 0.55 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 110.418 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.479 ' N ' HD22 ' B' ' 45' ' ' LEU . 4.1 mm? -77.17 87.4 3.63 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -52.09 105.96 0.13 Allowed 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.113 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -123.53 -19.95 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.46 -0.775 . . . . 0.0 109.773 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -84.17 -60.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.126 -0.984 . . . . 0.0 112.169 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.03 -46.04 90.83 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.862 -1.149 . . . . 0.0 110.167 -177.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.6 m-20 -98.07 76.91 2.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.431 -1.418 . . . . 0.0 109.644 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.608 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -55.99 -19.26 11.86 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -73.95 -27.78 61.18 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.28 -33.44 73.56 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.543 -0.723 . . . . 0.0 109.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.608 HG12 ' O ' ' B' ' 51' ' ' ALA . 6.3 p -79.57 -29.45 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.949 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.757 -1.215 . . . . 0.0 108.118 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -70.59 -40.02 73.49 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.868 -0.52 . . . . 0.0 110.681 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.508 ' HA ' HD22 ' B' ' 61' ' ' LEU . 5.1 ppp? -81.87 -32.93 30.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.0 110.084 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.464 ' N ' ' SD ' ' B' ' 58' ' ' MET . 36.1 ttpt -60.03 -43.87 95.03 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.106 -0.997 . . . . 0.0 110.944 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -67.07 -39.95 86.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.473 -0.767 . . . . 0.0 111.793 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 1.017 HD23 ' N ' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -94.39 -22.55 18.24 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.869 -1.145 . . . . 0.0 110.366 -178.293 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 1.017 ' N ' HD23 ' B' ' 61' ' ' LEU . 27.4 t70 -83.44 46.59 1.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.828 -1.17 . . . . 0.0 108.385 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.37 -13.59 3.62 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 66' ' ' ASP . 54.6 t-20 -75.75 -4.33 39.85 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.41 22.99 1.13 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 28.0 p-10 -89.94 1.08 56.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.532 -0.981 . . . . 0.0 110.422 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.03 9.96 8.26 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.7 mt-10 -130.61 146.67 52.17 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.527 HG12 ' H ' ' B' ' 71' ' ' PHE . 25.7 t -115.82 137.25 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 CA-C-O 121.68 0.753 . . . . 0.0 110.229 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.1 m-20 -78.32 15.24 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.597 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 41.0 t80 61.97 -43.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 70' ' ' ASP . 95.8 mt-30 -60.09 -39.85 87.56 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.304 -1.498 . . . . 0.0 108.145 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.41 ' C ' HD12 ' B' ' 61' ' ' LEU . 75.4 mt-10 -60.17 -40.01 88.47 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 108.62 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.791 ' CE2' HG21 ' B' ' 78' ' ' VAL . 65.0 t80 -59.92 -44.67 94.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.666 -0.646 . . . . 0.0 111.644 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -39.91 81.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 O-C-N 120.659 -1.276 . . . . 0.0 110.871 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.09 -39.98 82.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 O-C-N 120.406 -1.434 . . . . 0.0 111.071 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -57.9 4.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.967 -1.083 . . . . 0.0 112.915 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.791 HG21 ' CE2' ' B' ' 74' ' ' PHE . 26.6 m -77.85 -24.91 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 0.0 112.402 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -70.24 -41.82 73.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.392 -1.442 . . . . 0.0 109.125 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.99 74.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.92 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -65.03 -49.06 71.61 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.09 -1.006 . . . . 0.0 110.759 -178.269 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.429 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.0 t -67.42 -40.39 85.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.836 -1.165 . . . . 0.0 111.578 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.429 ' N ' HG23 ' B' ' 82' ' ' THR . 55.1 t -62.91 -47.3 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.127 -0.983 . . . . 0.0 110.139 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.1 90.47 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.745 -0.597 . . . . 0.0 110.201 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.99 -39.98 95.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.425 -0.797 . . . . 0.0 111.31 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.422 HD22 HD13 ' A' ' 12' ' ' ILE . 50.1 t-20 -60.06 -47.69 84.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.049 -1.032 . . . . 0.0 111.084 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -81.2 -15.08 56.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.996 -1.065 . . . . 0.0 110.245 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -88.38 -16.28 33.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.307 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -82.57 -39.69 21.93 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.043 -1.036 . . . . 0.0 109.564 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -89.27 -17.97 27.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.29 -0.881 . . . . 0.0 110.488 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.57 -40.05 88.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.607 -1.308 . . . . 0.0 108.852 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -82.74 -12.74 57.32 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 109.39 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.557 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.736 0 N-CA-C 119.859 2.704 . . . . 0.0 119.859 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -105.16 -83.95 0.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.262 -1.14 . . . . 0.0 109.997 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 9.2 mt-10 -103.23 -58.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.682 . . . . 0.0 111.923 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -60.05 -41.19 91.8 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.189 -0.944 . . . . 0.0 110.007 -178.027 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 65.3 tt0 -65.99 -40.04 90.84 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.557 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 10' ' ' THR . 6.5 m -59.28 -23.06 62.09 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -67.16 -37.66 84.13 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.8 mmm -80.7 -34.76 34.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.783 -1.198 . . . . 0.0 110.617 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -31.51 69.22 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.26 -178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.561 HG23 ' N ' ' A' ' 11' ' ' LEU . 7.4 t -77.79 -50.65 11.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.315 -0.865 . . . . 0.0 111.084 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' N ' HG23 ' A' ' 10' ' ' THR . 2.1 pp -66.29 -28.52 68.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.317 -1.489 . . . . 0.0 109.176 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.4 mt -72.35 -34.28 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.47 -1.394 . . . . 0.0 109.858 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.32 -44.18 68.78 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.539 -0.726 . . . . 0.0 111.02 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -70.84 -31.07 44.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -62.53 -39.93 95.16 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -85.65 -8.18 58.38 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.3 28.1 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.503 -0.748 . . . . 0.0 109.705 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 20' ' ' GLY . 97.2 m-70 -113.72 -9.46 13.16 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.508 -0.745 . . . . 0.0 111.163 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 1.5 t -43.58 -18.1 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.239 -0.913 . . . . 0.0 110.412 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . 139.49 31.29 0.19 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -58.76 -24.81 62.29 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.07 0.02 57.35 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.659 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.79 -106.29 0.19 Allowed Glycine 0 N--CA 1.492 2.397 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.715 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.7 p-10 -79.61 80.33 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.316 -1.108 . . . . 0.0 110.568 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.37 9.03 7.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.85 . . . . 0.0 109.818 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 54.6 t80 -89.79 -9.95 47.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.125 -0.984 . . . . 0.0 109.472 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -158.29 160.04 36.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 108.946 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 33' ' ' LEU . 37.8 tp -80.98 160.65 24.55 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.984 -1.072 . . . . 0.0 108.908 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -137.62 168.29 19.97 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.794 -1.191 . . . . 0.0 110.331 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.76 -40.02 86.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.457 -0.777 . . . . 0.0 112.415 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.02 -29.04 43.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.189 -1.57 . . . . 0.0 109.751 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 19' ' ' SER . 95.9 mt-10 -67.09 -45.55 76.94 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 111.022 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.1 pp -69.95 -35.59 74.62 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.298 -0.876 . . . . 0.0 110.46 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 49.4 tttm -60.31 -34.53 73.93 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.052 -1.03 . . . . 0.0 109.229 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 39' ' ' THR . 44.2 t0 -67.65 -41.0 84.51 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.698 -1.252 . . . . 0.0 109.658 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.12 -43.54 95.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.75 . . . . 0.0 111.718 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' SER . 38.4 mt -76.92 -40.0 48.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.76 -1.213 . . . . 0.0 110.821 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 26.5 mt-30 -70.03 -19.98 63.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.757 0.789 . . . . 0.0 109.123 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 35' ' ' ASP . 4.7 p -80.84 -60.44 2.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.361 -0.837 . . . . 0.0 112.071 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 4.4 mt-10 -111.1 -29.95 7.67 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.947 -1.096 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.9 mp -109.06 28.5 8.43 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.065 -1.022 . . . . 0.0 110.16 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 37' ' ' LEU . 20.6 p -62.9 -40.81 98.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.114 -0.991 . . . . 0.0 111.506 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 91.0 p -73.6 -38.8 65.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.964 -1.085 . . . . 0.0 112.005 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.98 -63.92 1.25 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.684 -1.26 . . . . 0.0 109.868 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -80.67 99.0 7.95 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -60.01 132.95 55.52 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 118.546 -1.262 . . . . 0.0 108.649 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.87 -31.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.082 -1.011 . . . . 0.0 110.081 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.02 -59.98 2.58 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.2 -0.937 . . . . 0.0 111.934 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.63 -41.7 99.17 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.504 -0.748 . . . . 0.0 110.514 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 53' ' ' ALA . 3.9 p30 -101.33 72.6 1.44 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.862 -1.149 . . . . 0.0 109.359 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -52.16 -22.13 3.97 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.692 -1.255 . . . . 0.0 107.748 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -70.4 -27.23 64.13 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -63.06 -31.1 72.16 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -76.79 -30.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 109.116 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -66.91 -40.04 87.58 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.106 -0.996 . . . . 0.0 108.869 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -70.09 -39.91 75.28 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.056 0.931 . . . . 0.0 110.388 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -40.09 87.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.478 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.468 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 60.7 mtp -76.59 -37.46 56.45 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.078 0.942 . . . . 0.0 111.213 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.0 -34.33 73.19 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-O 122.839 1.304 . . . . 0.0 108.274 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.01 -49.92 75.77 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.648 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.806 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -110.28 -18.77 13.2 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.196 -0.94 . . . . 0.0 110.832 -178.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 64' ' ' ASN . 10.4 t0 -84.32 26.68 0.75 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' LEU . 44.8 mt-10 -50.08 -8.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.731 -0.606 . . . . 0.0 110.035 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -74.51 -5.92 45.48 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.161 -0.962 . . . . 0.0 108.688 179.437 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.42 21.47 48.61 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 68' ' ' GLU . 49.4 p-10 -90.17 0.01 57.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -1.015 . . . . 0.0 110.412 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.45 8.43 1.8 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 66' ' ' ASP . 50.9 mt-10 -130.3 139.91 50.69 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 71' ' ' PHE . 20.9 t -110.6 140.05 31.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-O 121.427 0.632 . . . . 0.0 110.375 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLN . 92.6 m-20 -74.27 15.14 0.35 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.418 -0.801 . . . . 0.0 109.729 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 70.1 t80 63.75 -48.17 0.26 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 122.025 -0.422 . . . . 0.0 110.629 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ASP . 62.9 tp60 -60.06 -37.99 81.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 107.835 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.622 ' HB3' HD12 ' A' ' 61' ' ' LEU . 87.6 mt-10 -59.94 -45.51 92.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 108.988 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' O ' HG22 ' A' ' 78' ' ' VAL . 92.1 t80 -60.02 -43.56 95.18 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -59.99 -39.95 81.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 O-C-N 120.704 -1.247 . . . . 0.0 110.235 -177.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.89 -40.01 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.59 -1.319 . . . . 0.0 111.663 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.76 -56.62 11.03 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.778 -1.201 . . . . 0.0 112.337 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 74' ' ' PHE . 13.1 m -73.82 -21.52 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.024 -1.048 . . . . 0.0 111.538 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 75' ' ' VAL . . . -67.45 -50.57 58.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.875 -1.141 . . . . 0.0 109.744 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.07 83.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.405 -0.809 . . . . 0.0 111.304 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.42 -49.88 75.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.798 -1.189 . . . . 0.0 110.98 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 ' OG1' HD21 ' A' ' 45' ' ' LEU . 91.0 m -67.52 -40.13 85.08 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.27 -0.894 . . . . 0.0 112.021 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.83 -45.56 98.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.284 -0.885 . . . . 0.0 110.001 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.02 91.26 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.536 -0.727 . . . . 0.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.51 -39.96 89.68 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.066 -1.021 . . . . 0.0 110.414 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.89 -40.07 96.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.168 -0.958 . . . . 0.0 110.666 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.32 -39.98 94.98 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.045 -1.034 . . . . 0.0 109.716 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.26 -40.12 96.52 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.118 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -71.47 -40.0 70.55 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.064 -1.023 . . . . 0.0 108.588 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -65.17 -42.52 93.59 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.513 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.65 -39.2 91.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -59.91 -40.03 87.44 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.123 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.5 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.424 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.744 0 N-CA-C 119.73 2.652 . . . . 0.0 119.73 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -105.17 -84.33 0.5 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.365 -1.079 . . . . 0.0 110.018 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 9.8 mt-10 -102.84 -58.16 1.92 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.632 -0.667 . . . . 0.0 111.961 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 1.0 OUTLIER -60.02 -41.25 91.75 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.229 -0.919 . . . . 0.0 110.019 -177.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 64.8 tt0 -65.97 -39.82 90.71 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.977 -1.489 . . . . 0.0 108.575 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.445 ' O ' HG22 ' B' ' 10' ' ' THR . 7.1 m -59.41 -22.98 62.23 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.35 -37.61 83.52 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.404 0.621 . . . . 0.0 110.178 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 97.0 mmm -80.64 -34.89 34.59 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.808 -1.182 . . . . 0.0 110.589 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -31.19 68.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.164 -0.96 . . . . 0.0 110.268 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.546 HG23 ' N ' ' B' ' 11' ' ' LEU . 7.5 t -78.03 -50.83 11.33 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.277 -0.889 . . . . 0.0 111.035 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.546 ' N ' HG23 ' B' ' 10' ' ' THR . 2.2 pp -66.09 -28.55 68.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.322 -1.486 . . . . 0.0 109.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.47 -34.17 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.485 -1.385 . . . . 0.0 109.941 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.91 -43.58 68.0 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.254 -0.904 . . . . 0.0 111.075 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.67 -31.34 45.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 2.0 t80 -62.38 -39.98 94.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -85.75 -7.91 58.47 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.13 -36.51 27.41 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.461 -0.774 . . . . 0.0 109.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' B' ' 20' ' ' GLY . 97.4 m-70 -113.42 -9.51 13.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.172 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 1.5 t -43.74 -17.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.19 -0.944 . . . . 0.0 110.317 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 18' ' ' HIS . . . 139.43 31.53 0.19 Allowed Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -58.95 -24.85 62.96 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -90.01 0.02 57.34 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.617 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.84 -106.29 0.19 Allowed Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.476 -1.345 . . . . 0.0 110.798 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 29.1 p-10 -79.59 80.65 5.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.21 -1.171 . . . . 0.0 110.491 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -81.51 8.99 8.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.399 -0.813 . . . . 0.0 109.809 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -89.88 -9.96 47.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.037 -1.04 . . . . 0.0 109.514 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.37 160.02 36.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 108.781 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' B' ' 33' ' ' LEU . 37.2 tp -80.97 160.78 24.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.999 -1.063 . . . . 0.0 108.805 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -137.09 169.03 18.46 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.869 -1.144 . . . . 0.0 110.264 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -60.1 -39.95 87.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.669 -0.644 . . . . 0.0 112.514 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -28.88 41.84 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.289 -1.507 . . . . 0.0 109.818 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' O ' ' B' ' 19' ' ' SER . 95.9 mt-10 -67.13 -45.62 76.57 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 110.981 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.2 pp -69.97 -35.82 74.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.238 -0.914 . . . . 0.0 110.498 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 49.8 tttm -60.14 -34.49 73.62 Favored 'General case' 0 C--O 1.196 -1.754 0 O-C-N 121.107 -0.996 . . . . 0.0 109.253 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.681 ' O ' HG23 ' B' ' 39' ' ' THR . 44.8 t0 -67.76 -40.07 84.08 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.69 -1.256 . . . . 0.0 109.858 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -43.37 98.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.422 -0.799 . . . . 0.0 111.727 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' B' ' 42' ' ' SER . 38.2 mt -76.86 -40.03 49.06 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.809 -1.182 . . . . 0.0 110.764 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 26.5 mt-30 -70.01 -20.15 63.29 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.635 0.731 . . . . 0.0 109.181 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.681 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -80.63 -60.51 2.28 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.51 -0.744 . . . . 0.0 112.047 -178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 4.4 mt-10 -111.17 -29.9 7.67 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.861 -1.149 . . . . 0.0 111.974 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.422 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.9 mp -109.09 28.05 8.89 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.049 -1.032 . . . . 0.0 110.225 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 37' ' ' LEU . 19.8 p -62.49 -40.79 97.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.159 -0.963 . . . . 0.0 111.577 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -73.59 -38.99 64.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.924 -1.11 . . . . 0.0 111.913 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.99 -63.94 1.25 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.757 -1.214 . . . . 0.0 109.968 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.598 ' N ' HD22 ' B' ' 45' ' ' LEU . 3.1 mm? -80.69 99.04 7.98 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.0 133.14 55.81 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.617 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -155.81 -31.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.052 -1.03 . . . . 0.0 109.997 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.03 -59.98 2.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.083 -1.01 . . . . 0.0 111.952 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -62.86 -41.08 99.24 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.512 -0.742 . . . . 0.0 110.547 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 53' ' ' ALA . 3.8 p30 -101.56 72.33 1.39 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.756 -1.215 . . . . 0.0 109.433 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.432 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -51.97 -22.14 3.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.62 -1.3 . . . . 0.0 107.792 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' B' ' 50' ' ' ASP . 90.4 m-20 -70.42 -27.34 64.2 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -62.93 -31.45 72.54 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.432 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -76.44 -31.19 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.211 -0.931 . . . . 0.0 109.069 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -66.74 -40.02 88.16 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 121.132 -0.98 . . . . 0.0 108.964 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -70.16 -39.92 75.05 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.375 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -39.94 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 62' ' ' ASP . 62.6 mtp -76.41 -37.44 57.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.054 0.93 . . . . 0.0 111.212 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -60.08 -34.37 73.35 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-O 122.796 1.284 . . . . 0.0 108.256 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -59.99 -49.9 75.85 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.624 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.815 ' H ' HD23 ' B' ' 61' ' ' LEU . 0.9 OUTLIER -110.4 -18.79 13.16 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' B' ' 64' ' ' ASN . 10.5 t0 -84.33 26.42 0.77 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' B' ' 61' ' ' LEU . 45.0 mt-10 -49.84 -8.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.825 -0.547 . . . . 0.0 110.121 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -74.47 -6.65 49.54 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 108.733 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.96 21.64 52.99 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' B' ' 68' ' ' GLU . 49.8 p-10 -90.28 -0.04 57.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.433 -1.039 . . . . 0.0 110.405 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.56 8.21 1.8 Allowed Glycine 0 N--CA 1.492 2.4 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' B' ' 66' ' ' ASP . 50.3 mt-10 -130.12 139.83 50.86 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -110.46 140.02 31.41 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.38 0.61 . . . . 0.0 110.522 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 72' ' ' GLN . 92.4 m-20 -74.28 15.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 109.82 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 70.0 t80 63.75 -48.27 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 122.013 -0.429 . . . . 0.0 110.683 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 62.3 tp60 -59.98 -38.12 81.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.578 -1.326 . . . . 0.0 107.77 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.626 ' HB3' HD12 ' B' ' 61' ' ' LEU . 87.5 mt-10 -59.94 -45.5 92.42 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.35 -0.844 . . . . 0.0 108.931 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.621 ' O ' HG22 ' B' ' 78' ' ' VAL . 91.9 t80 -59.97 -43.71 94.93 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -59.97 -39.97 81.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 120.512 -1.367 . . . . 0.0 110.223 -177.159 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.59 -40.02 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.9 -1.125 . . . . 0.0 111.648 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.84 -56.76 10.19 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 112.482 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.621 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.4 m -73.86 -21.25 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 111.51 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' B' ' 75' ' ' VAL . . . -67.61 -50.44 58.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.135 . . . . 0.0 109.734 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.99 82.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 111.273 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.44 -49.9 75.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.812 -1.18 . . . . 0.0 111.123 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.457 ' OG1' HD21 ' B' ' 45' ' ' LEU . 91.0 m -67.28 -41.27 85.73 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.325 -0.859 . . . . 0.0 111.776 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.76 -45.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 121.242 -0.911 . . . . 0.0 109.879 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.28 92.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.505 -0.747 . . . . 0.0 110.283 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 81.0 m -60.31 -40.07 89.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 110.398 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -62.7 -40.01 95.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.934 . . . . 0.0 110.735 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.3 -40.01 95.06 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.125 -0.984 . . . . 0.0 109.713 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -63.46 -40.06 96.12 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.006 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -71.49 -40.0 70.51 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.051 -1.03 . . . . 0.0 108.612 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -65.0 -42.95 94.01 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.484 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.14 -39.47 93.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.158 -0.964 . . . . 0.0 109.144 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.372 -0.83 . . . . 0.0 109.067 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.397 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.014 0 N-CA-C 119.88 2.712 . . . . 0.0 119.88 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 19.0 m -100.29 20.72 14.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.327 -1.101 . . . . 0.0 109.437 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.01 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.261 -0.899 . . . . 0.0 109.282 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.5 tt -71.22 -39.44 71.72 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.06 -39.96 94.16 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -64.51 -22.6 67.01 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.66 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.42 -38.87 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.227 -0.921 . . . . 0.0 109.466 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.465 ' SD ' HG21 ' B' ' 82' ' ' THR . 62.9 mtm -78.1 -34.27 50.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.827 -1.171 . . . . 0.0 110.641 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 5.6 pt-20 -70.71 -32.95 70.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.962 -1.086 . . . . 0.0 110.654 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.65 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 11.3 t -77.37 -45.14 26.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.248 -0.908 . . . . 0.0 111.903 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 10' ' ' THR . 3.0 pp -70.93 -28.43 64.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.208 -1.558 . . . . 0.0 108.835 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.29 -37.35 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.144 -0.972 . . . . 0.0 109.777 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 15.1 m120 -70.02 -40.09 75.42 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.983 0.897 . . . . 0.0 110.109 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -32.01 42.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.2 t80 -62.99 -39.91 96.16 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.06 -9.62 54.99 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.0 51.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.644 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -103.69 -39.98 6.47 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.428 -0.795 . . . . 0.0 110.44 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 t -65.93 -23.49 66.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.106 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.1 -7.7 67.63 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -71.21 -31.81 68.06 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.762 -0.846 . . . . 0.0 108.728 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' ASP . 98.5 mt-10 -94.18 112.45 24.26 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -31.02 -31.66 0.01 OUTLIER Glycine 0 N--CA 1.502 3.098 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 22' ' ' GLU . 91.8 m-20 -71.41 47.4 0.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.725 -1.456 . . . . 0.0 107.733 178.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 28.3 mtmm -61.55 6.51 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.854 -0.529 . . . . 0.0 111.078 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ASP . 80.7 m-85 -86.75 -10.07 54.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.512 -1.367 . . . . 0.0 109.785 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -161.18 161.11 30.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.873 -1.142 . . . . 0.0 110.662 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 29' ' ' SER . 47.3 tp -83.29 166.24 18.68 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.523 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 41.1 t -137.07 164.54 28.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.798 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.294 -0.878 . . . . 0.0 111.199 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -70.53 -35.18 73.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.865 -1.147 . . . . 0.0 109.993 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 29' ' ' SER . 74.0 mt-10 -63.72 -50.08 70.55 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.294 -178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 1.3 pp -66.34 -30.22 70.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.175 -0.953 . . . . 0.0 110.112 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 28.7 tptp -60.6 -39.98 90.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.304 -0.873 . . . . 0.0 109.539 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 39' ' ' THR . 47.2 t0 -68.91 -40.03 79.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.643 -0.661 . . . . 0.0 110.714 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.82 -40.04 91.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.268 -0.895 . . . . 0.0 111.432 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' CB ' HG11 ' A' ' 47' ' ' VAL . 24.7 mt -74.37 -44.09 53.66 Favored 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.893 -1.13 . . . . 0.0 111.345 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 13.4 pt20 -69.99 -20.05 63.31 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.396 -0.815 . . . . 0.0 109.389 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.1 p -81.59 -57.1 3.61 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.222 -0.924 . . . . 0.0 112.228 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 6.0 mt-10 -112.28 -25.83 9.07 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.026 -1.046 . . . . 0.0 112.968 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 4' ' ' LEU . 7.1 mp -109.95 23.65 14.08 Favored 'General case' 0 N--CA 1.514 2.747 0 O-C-N 120.687 -1.258 . . . . 0.0 109.928 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -59.92 -40.39 88.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.123 -0.985 . . . . 0.0 111.164 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.5 p -70.87 -40.94 72.0 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.881 -1.137 . . . . 0.0 111.464 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -78.59 -70.1 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.776 -1.203 . . . . 0.0 110.362 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -82.59 96.41 8.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 14.3 p-10 -59.41 97.85 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.133 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' CB ' ' A' ' 37' ' ' LEU . 1.2 p -111.08 -16.85 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.623 -0.673 . . . . 0.0 109.618 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.89 -60.05 2.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.0 -1.063 . . . . 0.0 112.389 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -59.96 -46.51 89.18 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.937 -1.102 . . . . 0.0 109.995 -177.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' ALA . 87.5 m-20 -99.15 78.46 2.24 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.626 -1.296 . . . . 0.0 109.718 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.43 -19.9 17.22 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 53.5 t0 -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -65.76 -34.41 78.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 51' ' ' ALA . 4.2 p -78.18 -26.64 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.904 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -69.97 -37.67 75.86 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 120.706 -1.246 . . . . 0.0 108.034 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 122.171 0.986 . . . . 0.0 109.494 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -37.55 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.29 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.514 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 10.6 mmm -75.44 -33.07 60.87 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.776 0.798 . . . . 0.0 110.451 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -67.52 -40.01 85.09 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 122.46 1.124 . . . . 0.0 109.995 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -62.47 -40.39 96.5 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.908 -177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD23 ' H ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -103.73 -28.56 11.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.115 -0.991 . . . . 0.0 110.705 -178.323 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.667 ' H ' HD23 ' A' ' 61' ' ' LEU . 25.0 t0 -84.3 31.85 0.51 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.9 tt0 -49.71 -19.32 0.6 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.604 0.716 . . . . 0.0 109.2 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' ASP . 1.2 t-20 -72.62 -12.23 60.96 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.54 38.21 94.49 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 68' ' ' GLU . 1.2 m-20 -93.43 -9.15 39.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.993 -1.298 . . . . 0.0 110.137 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 0.93 9.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 106.768 -2.533 . . . . 0.0 106.768 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 66' ' ' ASP . 98.5 mt-10 -130.06 146.54 51.73 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.514 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 16.8 t -115.78 136.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 CA-C-O 121.472 0.653 . . . . 0.0 110.787 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLN . 90.9 m-20 -72.23 16.84 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.658 -0.651 . . . . 0.0 109.459 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 68.6 t80 62.59 -48.67 0.18 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 122.01 -0.431 . . . . 0.0 110.621 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' ASP . 64.0 tt0 -60.06 -38.53 83.12 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.615 -1.303 . . . . 0.0 107.816 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 61' ' ' LEU . 95.0 mt-10 -59.97 -39.98 87.51 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 76.2 t80 -62.14 -45.52 93.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.605 -0.684 . . . . 0.0 112.603 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.3 p -60.02 -39.52 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 120.591 -1.318 . . . . 0.0 110.771 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.85 -39.95 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.497 -1.377 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.98 -56.31 12.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.787 -1.196 . . . . 0.0 112.438 -177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 5.1 m -75.2 -21.77 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.174 -0.954 . . . . 0.0 111.566 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -67.55 -48.3 67.37 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.667 -1.27 . . . . 0.0 109.148 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.66 75.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.316 -0.865 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.85 -55.13 33.08 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.913 -1.117 . . . . 0.0 110.758 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.477 HG21 ' SD ' ' B' ' 8' ' ' MET . 94.3 m -64.58 -39.99 94.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.946 -1.096 . . . . 0.0 111.749 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 79' ' ' ALA . 55.2 t -60.01 -41.57 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.946 -1.096 . . . . 0.0 109.564 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.97 84.45 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.423 -0.798 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.03 -39.93 87.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.323 -0.861 . . . . 0.0 109.795 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.973 . . . . 0.0 110.406 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -59.93 -40.2 88.07 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.932 -1.105 . . . . 0.0 108.851 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.27 -39.9 92.09 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.838 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -65.4 -37.0 85.66 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.1 -39.72 94.66 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.57 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.85 -39.42 85.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 0.0 109.242 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 93' ' ' SER . 28.5 m120 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.86 . . . . 0.0 108.777 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.584 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.833 2.693 . . . . 0.0 119.833 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 6' ' ' THR . 14.7 m -100.14 20.3 14.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.263 -1.14 . . . . 0.0 109.448 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 3' ' ' GLU . 65.5 mt-10 -60.09 -49.97 75.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.5 tt -70.97 -39.7 72.38 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.94 -39.97 93.93 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.444 ' N ' ' O ' ' B' ' 2' ' ' SER . 18.0 m -64.53 -22.41 66.96 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -67.65 -38.67 84.16 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 109.425 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.477 ' SD ' HG21 ' A' ' 82' ' ' THR . 61.7 mtm -78.23 -34.33 49.3 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.922 -1.111 . . . . 0.0 110.679 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 6.0 pt-20 -70.62 -32.89 70.39 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.965 -1.084 . . . . 0.0 110.584 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.66 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 13.0 t -77.52 -44.99 26.88 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.285 -0.884 . . . . 0.0 111.834 -177.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 10' ' ' THR . 3.0 pp -70.99 -28.26 64.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.279 -1.513 . . . . 0.0 108.859 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.5 -37.44 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.099 -1.0 . . . . 0.0 109.815 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.5 m120 -70.03 -40.0 75.44 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.276 -0.89 . . . . 0.0 110.214 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -31.99 43.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.1 t80 -63.03 -39.97 96.33 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -87.19 -9.13 55.96 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.66 -40.08 50.18 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.081 -1.012 . . . . 0.0 109.606 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -103.85 -40.04 6.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -66.09 -23.59 66.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.024 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.31 -7.33 67.62 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -71.34 -31.36 67.28 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 24' ' ' ASP . 99.2 mt-10 -94.42 112.33 24.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . -30.74 -32.05 0.01 OUTLIER Glycine 0 N--CA 1.504 3.168 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' GLU . 89.9 m-20 -71.63 48.15 0.14 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.658 -1.495 . . . . 0.0 107.671 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 23' ' ' GLY . 27.6 mtmm -62.06 6.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.907 -0.495 . . . . 0.0 110.92 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' B' ' 24' ' ' ASP . 79.0 m-85 -86.94 -10.13 53.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.5 -1.375 . . . . 0.0 109.823 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -161.07 160.83 30.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.818 -1.176 . . . . 0.0 110.647 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' B' ' 29' ' ' SER . 46.7 tp -82.89 166.27 19.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 35.5 t -137.28 164.12 29.31 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.946 -1.096 . . . . 0.0 109.744 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.95 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -69.96 -35.67 74.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.851 -1.155 . . . . 0.0 110.099 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 29' ' ' SER . 73.4 mt-10 -63.41 -49.9 71.94 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.678 -0.639 . . . . 0.0 111.373 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 1.3 pp -66.77 -29.49 69.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.216 -0.928 . . . . 0.0 110.165 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.506 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 29.0 tptp -61.09 -40.04 92.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.298 -0.876 . . . . 0.0 109.323 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' HG23 ' B' ' 39' ' ' THR . 46.1 t0 -68.7 -39.83 80.3 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.382 0.611 . . . . 0.0 110.906 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.35 -40.03 89.57 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.346 -0.846 . . . . 0.0 111.476 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' B' ' 47' ' ' VAL . 29.5 mt -74.37 -44.25 53.02 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.985 -1.072 . . . . 0.0 111.302 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.506 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 13.6 pt20 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.448 -0.783 . . . . 0.0 109.463 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.567 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.2 p -81.64 -57.06 3.62 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.225 -0.922 . . . . 0.0 112.192 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' B' ' 41' ' ' LEU . 6.2 mt-10 -112.17 -26.09 8.99 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 121.003 -1.06 . . . . 0.0 113.052 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 4' ' ' LEU . 7.0 mp -109.98 23.81 13.85 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.044 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.8 p -60.1 -40.2 88.81 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.173 -0.955 . . . . 0.0 111.045 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -70.91 -41.24 71.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.893 -1.13 . . . . 0.0 111.454 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -78.24 -70.0 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 110.419 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -82.76 96.52 8.21 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 15.4 p-10 -59.46 97.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.129 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.519 HG11 ' HB3' ' B' ' 37' ' ' LEU . 1.2 p -111.21 -16.56 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.701 -0.625 . . . . 0.0 109.634 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.02 -60.25 2.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.936 -1.102 . . . . 0.0 112.358 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.06 -45.81 91.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.884 -1.126 . . . . 0.0 110.101 -177.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' B' ' 53' ' ' ALA . 87.3 m-20 -99.76 78.25 2.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.476 -1.39 . . . . 0.0 109.7 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.573 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.38 -19.93 17.04 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -73.14 -24.21 60.57 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -65.26 -35.26 80.49 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.573 HG12 ' O ' ' B' ' 51' ' ' ALA . 5.3 p -77.52 -26.76 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.042 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -69.99 -37.26 75.67 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 120.747 -1.221 . . . . 0.0 108.119 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -69.85 -39.92 76.1 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.057 0.932 . . . . 0.0 109.428 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -37.38 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.594 0.711 . . . . 0.0 109.285 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.525 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 10.3 mmm -75.61 -32.87 60.47 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.735 0.778 . . . . 0.0 110.369 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -67.35 -40.0 85.78 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 122.458 1.123 . . . . 0.0 110.008 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.72 -40.12 96.19 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.941 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.668 HD23 ' H ' ' B' ' 62' ' ' ASP . 0.9 OUTLIER -103.95 -28.55 11.49 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.023 -1.048 . . . . 0.0 110.68 -178.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.668 ' H ' HD23 ' B' ' 61' ' ' LEU . 24.7 t0 -84.19 31.97 0.5 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.8 tt0 -49.73 -19.33 0.61 Allowed 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' B' ' 62' ' ' ASP . 1.1 t-20 -72.64 -12.32 61.0 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.76 38.05 94.04 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 68' ' ' GLU . 1.7 m-20 -93.08 -9.9 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.045 -1.268 . . . . 0.0 110.041 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.43 1.31 10.24 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 106.625 -2.59 . . . . 0.0 106.625 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 66' ' ' ASP . 98.3 mt-10 -130.17 146.26 51.79 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.525 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 16.5 t -115.71 136.87 51.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.7 m-20 -72.11 16.62 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.559 -0.713 . . . . 0.0 109.6 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 68.7 t80 62.66 -48.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 122.02 -0.425 . . . . 0.0 110.649 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' B' ' 70' ' ' ASP . 64.1 tt0 -60.08 -38.32 82.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.665 -1.272 . . . . 0.0 107.796 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.629 ' C ' HD12 ' B' ' 61' ' ' LEU . 94.7 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 79.5 t80 -62.43 -45.22 94.07 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.589 -0.695 . . . . 0.0 112.784 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' B' ' 79' ' ' ALA . 1.2 p -59.95 -39.95 81.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 O-C-N 120.6 -1.312 . . . . 0.0 110.656 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.26 -39.92 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.626 -1.296 . . . . 0.0 111.204 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.53 -56.21 11.93 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.819 -1.176 . . . . 0.0 112.454 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 4.5 m -75.23 -21.73 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.221 -0.924 . . . . 0.0 111.618 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.46 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -67.31 -48.47 67.5 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.594 -1.316 . . . . 0.0 109.126 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.47 75.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.242 -0.911 . . . . 0.0 110.947 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.486 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.4 OUTLIER -61.97 -55.22 31.66 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.876 -1.14 . . . . 0.0 110.773 -178.18 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.465 HG21 ' SD ' ' A' ' 8' ' ' MET . 94.4 m -64.55 -39.97 94.73 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.953 -1.092 . . . . 0.0 111.695 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.6 t -60.03 -41.66 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.871 -1.143 . . . . 0.0 109.634 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.92 83.94 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 109.617 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.3 m -59.88 -40.05 87.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.242 -0.911 . . . . 0.0 109.757 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.98 -39.99 87.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.071 -1.018 . . . . 0.0 110.483 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -59.99 -40.14 88.12 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.961 -1.087 . . . . 0.0 108.888 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -61.09 -40.0 92.04 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.454 -0.899 . . . . 0.0 109.865 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -65.63 -36.61 84.21 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.3 -39.66 94.36 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.549 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.24 84.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.161 -0.962 . . . . 0.0 109.253 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.06 -39.8 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.308 -0.87 . . . . 0.0 108.829 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.556 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.681 ' HA3' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.905 0 N-CA-C 119.187 2.435 . . . . 0.0 119.187 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.463 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 18.5 m -107.02 -80.91 0.56 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -1.154 . . . . 0.0 110.794 -179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -102.45 -58.64 1.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.479 -0.763 . . . . 0.0 112.371 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.3 tt -59.99 -39.98 87.59 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.681 ' OE1' ' HA3' ' A' ' 1' ' ' GLY . 59.6 tt0 -62.82 -39.97 95.95 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.986 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -23.25 66.01 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -67.89 -37.58 81.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.578 -0.701 . . . . 0.0 110.235 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -81.28 -33.54 32.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.714 -1.241 . . . . 0.0 110.388 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -29.99 66.32 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.115 -0.991 . . . . 0.0 109.986 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.577 ' CG2' ' HB2' ' B' ' 7' ' ' ALA . 10.3 t -80.01 -52.05 8.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.136 -0.978 . . . . 0.0 111.174 -178.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 10' ' ' THR . 1.1 pp -61.22 -28.52 69.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.326 -1.484 . . . . 0.0 109.398 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -71.28 -36.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.763 -1.21 . . . . 0.0 110.147 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -69.76 -45.38 68.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.448 -0.783 . . . . 0.0 110.854 -177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -70.25 -30.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 71' ' ' PHE . 1.3 t80 -62.82 -40.03 96.15 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -87.13 -9.3 55.65 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 21' ' ' LYS . . . -77.13 -38.77 51.34 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.416 -0.803 . . . . 0.0 109.366 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -105.37 -20.61 13.43 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.385 -0.822 . . . . 0.0 111.311 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.8 m -70.06 -23.02 63.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.09 -1.006 . . . . 0.0 111.556 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.72 2.61 32.13 Favored Glycine 0 N--CA 1.501 2.995 0 O-C-N 121.092 -1.005 . . . . 0.0 111.127 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 17' ' ' ALA . 46.3 mtpt -87.8 -15.91 35.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.865 -1.374 . . . . 0.0 110.386 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -99.48 -5.07 29.97 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.222 -0.924 . . . . 0.0 110.344 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 98.27 -35.63 4.47 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -71.6 63.97 0.43 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.3 ttpp -80.0 -10.3 59.76 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.191 -178.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -78.2 -8.5 58.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.853 -1.154 . . . . 0.0 109.252 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -176.09 -179.95 1.2 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.423 -0.798 . . . . 0.0 109.534 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 33' ' ' LEU . 40.6 tp -83.92 165.14 18.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.37 -0.831 . . . . 0.0 109.28 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.422 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 8.6 p -134.46 166.95 21.67 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.908 -1.12 . . . . 0.0 109.829 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.93 -40.02 87.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.22 -0.925 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -76.77 -33.9 58.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.379 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 29' ' ' SER . 94.2 mt-10 -62.39 -44.23 96.94 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.587 -0.695 . . . . 0.0 110.918 -178.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 pp -69.93 -28.64 65.75 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -60.04 -40.0 87.87 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 109.118 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 39' ' ' THR . 95.5 m-20 -71.0 -40.0 72.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.83 -1.169 . . . . 0.0 110.829 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.6 mt -59.95 -41.91 92.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.968 -1.082 . . . . 0.0 110.875 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' SER . 23.4 mt -77.51 -40.06 44.1 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.734 -1.229 . . . . 0.0 110.333 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 48' ' ' GLN . 97.8 mt-30 -70.06 -20.0 63.25 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.545 -0.722 . . . . 0.0 109.077 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 35' ' ' ASP . 5.2 p -80.05 -57.44 3.63 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.123 -0.986 . . . . 0.0 110.705 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' C ' HD12 ' A' ' 41' ' ' LEU . 22.8 mm-40 -109.98 -29.14 8.38 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.963 -1.085 . . . . 0.0 112.609 -177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.4 mp -110.59 25.79 11.4 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 120.844 -1.16 . . . . 0.0 110.821 -177.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.2 p -60.02 -56.67 18.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.808 -1.182 . . . . 0.0 111.721 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 42' ' ' SER . 74.1 m -66.41 -40.01 89.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.227 -0.92 . . . . 0.0 112.361 -177.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -74.55 -65.4 0.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.576 -1.328 . . . . 0.0 110.783 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -83.03 98.12 9.11 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 29.2 t0 -51.95 123.15 9.71 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.137 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.33 -29.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.382 -0.824 . . . . 0.0 109.692 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.433 ' HA ' HE21 ' A' ' 38' ' ' GLN . 2.1 pt20 -81.67 -57.19 3.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.369 -0.832 . . . . 0.0 111.215 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -60.24 -39.83 88.08 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.89 -1.131 . . . . 0.0 110.151 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -105.03 81.22 1.7 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.823 -1.173 . . . . 0.0 109.39 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -60.71 -23.16 64.68 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 108.568 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -68.69 -24.46 64.5 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.84 73.94 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -77.57 -30.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.989 -1.07 . . . . 0.0 109.235 179.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -66.54 -40.08 88.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.932 -1.105 . . . . 0.0 108.756 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.35 -40.03 74.3 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.998 0.904 . . . . 0.0 111.336 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.661 HG13 HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.18 -40.12 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.037 -177.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.11 -25.1 34.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 110.088 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.95 -42.3 93.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.881 -1.137 . . . . 0.0 109.374 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -59.95 -38.11 81.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 3.7 mp -74.91 -62.77 1.43 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.384 0.612 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' C ' ' N ' ' A' ' 64' ' ' ASN . 90.7 m-20 -78.63 40.92 0.39 Allowed 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 61' ' ' LEU . 84.0 tt0 -52.48 -16.83 0.99 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' N ' ' C ' ' A' ' 62' ' ' ASP . 91.0 m-20 -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.15 30.06 69.99 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLU . 25.7 p-10 -90.03 -0.84 57.8 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.153 -1.204 . . . . 0.0 109.845 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.33 10.05 0.3 Allowed Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' ASP . 42.5 mt-10 -132.52 131.31 41.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.501 -0.999 . . . . 0.0 108.935 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 71' ' ' PHE . 21.2 t -99.1 140.38 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.447 -0.783 . . . . 0.0 110.224 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' GLN . 71.4 m-20 -75.88 19.16 0.22 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.395 -0.815 . . . . 0.0 109.439 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 90.2 t80 63.68 -48.47 0.25 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 122.083 -0.385 . . . . 0.0 111.919 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.8 mt-30 -59.9 -39.72 86.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.426 -1.421 . . . . 0.0 108.715 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.78 -39.56 85.32 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.726 ' O ' HG22 ' A' ' 78' ' ' VAL . 75.0 t80 -63.48 -44.86 93.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.84 -40.05 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.42 -1.425 . . . . 0.0 110.566 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -71.75 -36.65 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.448 -1.407 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.661 HD21 HG13 ' A' ' 57' ' ' ILE . 31.7 tp -61.53 -56.45 19.88 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.88 -1.138 . . . . 0.0 111.909 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 74' ' ' PHE . 2.6 m -77.46 -22.3 14.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.871 -0.518 . . . . 0.0 111.251 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -70.04 -48.01 59.7 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.134 -1.027 . . . . 0.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.99 75.85 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.18 -0.95 . . . . 0.0 111.204 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.28 -48.81 78.27 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.697 -1.252 . . . . 0.0 110.307 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.25 -40.06 92.66 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.999 -1.063 . . . . 0.0 110.714 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 79' ' ' ALA . 54.3 t -60.19 -45.23 96.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.137 -0.977 . . . . 0.0 110.358 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.82 95.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.585 -0.697 . . . . 0.0 111.455 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 86' ' ' ASN . 17.5 p -60.63 -39.98 90.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.669 -1.269 . . . . 0.0 109.508 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 11.5 t-20 -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.384 -0.823 . . . . 0.0 110.444 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 55.0 t-20 -67.77 -38.28 83.19 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.115 -0.991 . . . . 0.0 110.189 -179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.75 -26.96 64.56 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.294 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.55 -6.5 44.38 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.17 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -69.92 -4.91 22.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.059 -1.026 . . . . 0.0 109.502 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -39.68 86.59 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.288 -0.883 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.133 -0.979 . . . . 0.0 109.153 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.754 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.68 ' HA3' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.826 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.423 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 18.4 m -106.91 -81.31 0.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -1.184 . . . . 0.0 110.587 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.24 -58.49 1.87 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.439 -0.788 . . . . 0.0 112.442 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.3 tt -60.01 -40.03 87.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.68 ' OE1' ' HA3' ' B' ' 1' ' ' GLY . 58.0 tt0 -62.93 -40.01 96.31 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.82 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.1 m -61.87 -22.98 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.9 mmt -81.14 -34.07 32.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.751 -1.218 . . . . 0.0 110.422 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -30.14 67.28 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.083 -1.011 . . . . 0.0 110.124 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' A' ' 7' ' ' ALA . 10.1 t -79.81 -52.25 8.14 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.164 -0.96 . . . . 0.0 111.247 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.542 ' N ' HG23 ' B' ' 10' ' ' THR . 1.0 OUTLIER -60.86 -28.86 69.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.251 -1.531 . . . . 0.0 109.431 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.96 -36.6 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.775 -1.203 . . . . 0.0 110.24 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -70.13 -45.05 67.66 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.209 -0.932 . . . . 0.0 110.986 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.09 -30.86 45.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' B' ' 71' ' ' PHE . 1.3 t80 -62.97 -40.08 96.65 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -87.02 -9.52 55.35 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 21' ' ' LYS . . . -76.89 -38.69 53.1 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.425 -0.797 . . . . 0.0 109.468 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -105.47 -20.56 13.44 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.378 -0.826 . . . . 0.0 111.327 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 75.6 m -70.15 -22.88 62.93 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.125 -0.984 . . . . 0.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.07 3.08 31.51 Favored Glycine 0 N--CA 1.502 3.079 0 O-C-N 120.981 -1.075 . . . . 0.0 111.147 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' B' ' 17' ' ' ALA . 45.5 mtpt -88.14 -15.53 35.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.812 -1.405 . . . . 0.0 110.251 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -99.89 -5.01 29.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . 98.45 -36.0 4.26 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -71.45 63.95 0.4 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' B' ' 23' ' ' GLY . 9.9 ttpp -79.94 -9.98 59.73 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.305 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.63 -8.83 59.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.952 -1.093 . . . . 0.0 109.197 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -175.91 179.71 1.29 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.511 -0.743 . . . . 0.0 109.498 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 33' ' ' LEU . 39.8 tp -83.34 165.05 19.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.347 -0.846 . . . . 0.0 109.344 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 10.0 p -133.78 167.19 20.99 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.95 -1.094 . . . . 0.0 109.766 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.93 -40.04 87.53 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.285 -0.884 . . . . 0.0 111.269 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.89 -33.62 57.79 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.723 -1.236 . . . . 0.0 110.227 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 29' ' ' SER . 93.9 mt-10 -62.81 -44.06 97.15 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.549 -0.719 . . . . 0.0 110.822 -178.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.562 ' HB3' HD21 ' B' ' 28' ' ' LEU . 1.4 pp -69.91 -28.68 65.81 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.335 -0.853 . . . . 0.0 110.05 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -59.96 -39.93 87.31 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 95.8 m-20 -70.97 -39.92 72.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.907 -1.12 . . . . 0.0 111.052 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.14 -41.94 93.8 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.985 -1.072 . . . . 0.0 110.851 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 42' ' ' SER . 25.5 mt -77.34 -40.18 45.0 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.682 -1.261 . . . . 0.0 110.358 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' B' ' 48' ' ' GLN . 97.9 mt-30 -70.11 -20.17 63.2 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.53 -0.731 . . . . 0.0 109.096 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 5.7 p -79.75 -57.66 3.56 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.755 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.464 ' C ' HD12 ' B' ' 41' ' ' LEU . 22.0 mm-40 -109.93 -29.11 8.41 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.9 -1.125 . . . . 0.0 112.617 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.464 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.5 mp -110.49 25.87 11.3 Favored 'General case' 0 N--CA 1.517 2.917 0 O-C-N 120.857 -1.152 . . . . 0.0 110.845 -177.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' B' ' 43' ' ' SER . 4.3 p -59.92 -57.01 14.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.784 -1.197 . . . . 0.0 111.764 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.51 ' N ' ' OG ' ' B' ' 42' ' ' SER . 69.9 m -66.31 -40.06 89.72 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.182 -0.949 . . . . 0.0 112.28 -177.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.51 -65.84 0.81 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.757 -1.215 . . . . 0.0 110.618 -178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.86 98.6 9.25 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' B' ' 46' ' ' ASP . 28.0 t0 -52.54 123.04 10.06 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.14 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.21 -30.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.399 -0.813 . . . . 0.0 109.723 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.446 ' HA ' HE21 ' B' ' 38' ' ' GLN . 2.2 pt20 -81.15 -57.25 3.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.324 -0.86 . . . . 0.0 111.207 -178.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -60.22 -39.99 88.59 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.95 -1.093 . . . . 0.0 110.142 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -105.02 81.62 1.76 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.862 -1.149 . . . . 0.0 109.362 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -60.83 -23.41 65.08 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 108.466 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -68.44 -25.1 64.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.92 76.78 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 51' ' ' ALA . 1.0 OUTLIER -77.05 -29.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.939 -1.101 . . . . 0.0 109.379 179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.65 -40.02 88.5 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.933 -1.104 . . . . 0.0 108.769 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.35 -40.01 74.34 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.873 0.844 . . . . 0.0 111.29 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.678 HG13 HD21 ' B' ' 77' ' ' LEU . 0.6 OUTLIER -65.59 -40.0 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.813 -0.554 . . . . 0.0 110.101 -177.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.1 -25.08 34.8 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.765 -1.209 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.94 -42.3 93.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 109.185 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.05 -38.51 82.99 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 61' ' ' LEU . 3.2 mp -74.48 -62.82 1.39 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.426 0.632 . . . . 0.0 110.614 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' B' ' 64' ' ' ASN . 91.3 m-20 -78.17 40.88 0.35 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.412 -0.805 . . . . 0.0 108.88 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 83.5 tt0 -52.46 -16.78 0.97 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.455 ' N ' ' C ' ' B' ' 62' ' ' ASP . 90.7 m-20 -86.37 -3.53 59.01 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.636 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.01 70.09 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' B' ' 68' ' ' GLU . 25.4 p-10 -89.98 -0.99 57.89 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.088 -1.242 . . . . 0.0 109.759 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.52 10.01 0.32 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 66' ' ' ASP . 41.8 mt-10 -132.59 131.31 41.33 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.473 -1.016 . . . . 0.0 108.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' B' ' 71' ' ' PHE . 21.3 t -99.18 140.13 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.515 -0.741 . . . . 0.0 110.298 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' B' ' 72' ' ' GLN . 72.3 m-20 -75.59 19.12 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.342 -0.849 . . . . 0.0 109.518 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 89.3 t80 63.9 -48.71 0.27 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 122.079 -0.388 . . . . 0.0 111.886 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-30 -60.08 -39.3 85.63 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.395 -1.44 . . . . 0.0 108.747 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 57.7 mt-10 -59.97 -39.6 86.2 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.736 ' O ' HG22 ' B' ' 78' ' ' VAL . 75.1 t80 -63.62 -44.69 93.18 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.04 -40.04 82.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 120.233 -1.542 . . . . 0.0 110.434 -176.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.411 HG22 ' H ' ' B' ' 76' ' ' VAL . 11.4 m -71.23 -37.48 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.588 -1.32 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.678 HD21 HG13 ' B' ' 57' ' ' ILE . 30.9 tp -61.06 -56.21 23.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.914 -1.116 . . . . 0.0 112.177 -177.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.736 HG22 ' O ' ' B' ' 74' ' ' PHE . 2.4 m -77.6 -22.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.829 -0.545 . . . . 0.0 111.137 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -69.95 -48.72 57.25 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.179 -1.009 . . . . 0.0 109.86 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.95 77.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 111.129 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.33 -48.59 79.14 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.823 -1.173 . . . . 0.0 110.462 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -61.69 -40.02 93.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.036 -1.04 . . . . 0.0 110.446 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 79' ' ' ALA . 54.5 t -60.0 -45.09 95.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 121.237 -0.914 . . . . 0.0 110.203 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.89 95.39 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.444 -0.785 . . . . 0.0 111.705 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' B' ' 86' ' ' ASN . 17.6 p -60.69 -39.88 90.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.727 -1.233 . . . . 0.0 109.428 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.486 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 11.5 t-20 -60.04 -40.04 88.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.413 -0.804 . . . . 0.0 110.357 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.567 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 54.0 t-20 -67.42 -38.65 84.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 110.244 -178.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.63 -26.77 64.58 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.366 -0.834 . . . . 0.0 110.339 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.91 -6.13 43.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.128 -0.982 . . . . 0.0 109.173 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -70.26 -4.68 23.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.17 -0.956 . . . . 0.0 109.367 -179.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.08 -39.55 86.46 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.323 -0.861 . . . . 0.0 109.386 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.195 -0.941 . . . . 0.0 109.148 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.735 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.653 ' HA3' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.94 0 N-CA-C 119.244 2.458 . . . . 0.0 119.244 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -108.3 -88.22 0.48 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -1.18 . . . . 0.0 110.097 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -103.53 -58.07 1.94 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.759 -0.588 . . . . 0.0 112.209 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 61.3 tp -60.25 -40.47 90.42 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.845 -1.159 . . . . 0.0 109.021 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.653 ' CD ' ' HA3' ' A' ' 1' ' ' GLY . 34.4 tt0 -63.62 -38.64 91.87 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.751 -1.179 . . . . 0.0 108.048 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 10' ' ' THR . 18.0 m -62.01 -21.31 64.77 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' B' ' 10' ' ' THR . . . -69.49 -35.96 76.05 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.418 -0.801 . . . . 0.0 109.772 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.515 ' SD ' HD21 ' B' ' 41' ' ' LEU . 37.6 mtp -75.46 -39.9 58.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.949 -1.095 . . . . 0.0 110.402 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.13 -35.76 78.63 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.376 0.607 . . . . 0.0 111.318 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.3 t -73.57 -47.49 40.2 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.319 -0.863 . . . . 0.0 111.614 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' THR . 2.4 pp -72.09 -26.88 62.32 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.236 -1.54 . . . . 0.0 110.429 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.98 -36.02 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.689 -1.257 . . . . 0.0 110.227 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -72.86 -40.73 65.44 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -33.71 57.59 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.02 -42.59 94.67 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -84.96 -9.38 58.13 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.37 27.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.842 -1.161 . . . . 0.0 110.642 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' CE1' ' OD2' ' A' ' 35' ' ' ASP . 50.7 t60 -111.55 -37.69 5.14 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.327 -0.858 . . . . 0.0 110.827 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 49.1 m -52.87 -30.16 32.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.164 -0.96 . . . . 0.0 110.234 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.04 12.32 52.47 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -89.39 -20.04 24.46 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.492 -1.005 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -110.55 -6.1 14.96 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 111.425 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.85 23.01 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 107.438 -2.265 . . . . 0.0 107.438 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.8 m-20 50.22 40.17 21.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.776 -1.426 . . . . 0.0 108.134 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -71.42 -6.85 43.35 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.565 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -78.74 -10.06 59.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 24' ' ' ASP . 3.7 ttmp? -158.52 160.01 36.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 29' ' ' SER . 55.5 tp -80.33 167.61 20.03 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 66.5 m -135.87 161.62 35.11 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.796 -1.19 . . . . 0.0 109.973 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.78 -39.76 85.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.291 -0.881 . . . . 0.0 110.013 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -70.72 -36.59 73.29 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.039 -1.038 . . . . 0.0 110.581 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 19' ' ' SER . 6.9 mm-40 -60.44 -50.11 74.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.285 -0.884 . . . . 0.0 111.263 -177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -68.22 -25.58 65.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.895 -1.128 . . . . 0.0 110.487 -179.023 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' NZ ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 tptp -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.164 -0.96 . . . . 0.0 109.601 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 39' ' ' THR . 23.6 t0 -73.02 -40.08 65.47 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.801 -1.187 . . . . 0.0 110.485 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.22 -40.96 95.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.246 -0.909 . . . . 0.0 111.132 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 45' ' ' LEU . 22.0 mt -75.61 -40.79 55.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.042 -1.036 . . . . 0.0 110.073 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 27.3 mt-30 -69.93 -20.45 63.35 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 35' ' ' ASP . 11.7 p -83.93 -57.48 3.18 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.329 -0.857 . . . . 0.0 112.47 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 41' ' ' LEU . 15.1 mt-10 -111.02 -28.8 8.16 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.775 -1.203 . . . . 0.0 112.753 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' SD ' ' B' ' 8' ' ' MET . 11.1 mp -108.46 23.15 14.94 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 120.965 -1.084 . . . . 0.0 110.323 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' LEU . 82.1 p -60.29 -40.46 90.56 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 110.329 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.5 t -70.02 -45.22 67.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.265 -0.897 . . . . 0.0 111.467 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.15 -67.91 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.902 -1.123 . . . . 0.0 110.042 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 37' ' ' LEU . 81.4 mt -81.23 95.66 7.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.16 89.97 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.453 -0.779 . . . . 0.0 109.924 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CB ' ' A' ' 37' ' ' LEU . 2.1 p -105.06 -16.21 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.0 -69.86 0.56 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.116 -0.99 . . . . 0.0 112.318 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -56.58 -50.12 72.87 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.066 -1.021 . . . . 0.0 110.458 -176.731 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' ALA . 98.2 m-20 -93.99 76.59 4.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.154 -1.592 . . . . 0.0 109.665 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -56.28 -22.07 27.87 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -67.63 -27.66 67.07 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -60.8 -31.84 71.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -77.0 -26.3 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.928 . . . . 0.0 109.748 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -71.15 -40.08 71.56 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 120.787 -1.196 . . . . 0.0 108.26 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -68.67 -39.88 80.42 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.048 0.927 . . . . 0.0 110.055 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -36.82 78.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.5 mmm -72.69 -30.98 64.69 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.811 0.815 . . . . 0.0 109.822 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -59.9 -44.31 94.34 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.532 0.682 . . . . 0.0 109.704 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -69.94 -39.86 75.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 109.306 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 6.5 mp -67.72 -83.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.644 0.735 . . . . 0.0 109.652 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 37.9 t0 -75.17 55.75 0.76 Allowed 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.22 -13.11 1.15 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.272 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 62' ' ' ASP . 66.2 t30 -77.32 -14.28 59.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.524 -0.735 . . . . 0.0 109.521 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.16 30.93 71.72 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 14.9 p30 -91.21 -2.56 57.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.992 -1.299 . . . . 0.0 110.338 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 69.86 1.82 34.24 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -128.38 141.71 51.33 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.471 -1.017 . . . . 0.0 108.426 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.6 t -109.77 139.82 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 CA-C-O 121.724 0.773 . . . . 0.0 110.456 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.8 t70 -81.01 25.14 0.47 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.607 -0.683 . . . . 0.0 109.636 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 12.4 p90 55.05 -46.61 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 122.73 0.412 . . . . 0.0 112.058 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.614 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.0 tt0 -59.83 -37.24 78.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.215 -1.553 . . . . 0.0 108.058 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 61' ' ' LEU . 37.2 mt-10 -60.13 -40.01 88.26 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.325 -0.859 . . . . 0.0 109.187 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 78' ' ' VAL . 61.1 t80 -66.93 -49.5 65.35 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.2 -40.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.491 -1.381 . . . . 0.0 111.27 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' B' ' 76' ' ' VAL . 55.3 t -65.61 -40.12 87.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 120.705 -1.247 . . . . 0.0 112.292 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' CB ' HD11 ' A' ' 61' ' ' LEU . 2.0 tm? -69.14 -57.75 4.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.839 -1.163 . . . . 0.0 112.204 -176.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' PHE . 6.7 m -72.36 -23.99 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.162 -0.961 . . . . 0.0 111.835 -177.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -50.63 60.5 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.842 -1.161 . . . . 0.0 109.514 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.97 95.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.394 -0.816 . . . . 0.0 110.988 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 60.4 tp -61.02 -40.13 92.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.8 -1.188 . . . . 0.0 110.298 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.425 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 23.2 p -64.66 -47.11 79.65 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.135 -0.978 . . . . 0.0 112.976 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -69.9 -43.67 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.395 -1.441 . . . . 0.0 109.859 -178.506 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -28.95 68.33 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.365 -0.834 . . . . 0.0 108.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 64.1 m -68.56 -40.14 80.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.327 -0.858 . . . . 0.0 109.549 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 82' ' ' THR . 65.1 m-80 -61.16 -39.83 91.57 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.624 -0.672 . . . . 0.0 110.654 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 46.5 t-20 -74.52 -27.22 60.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.051 -1.031 . . . . 0.0 109.409 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.89 -41.86 92.53 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.245 -0.909 . . . . 0.0 109.267 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -75.08 -28.04 60.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.179 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -65.32 -40.43 93.73 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.203 -0.936 . . . . 0.0 108.981 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.46 -40.0 92.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.258 -0.901 . . . . 0.0 108.604 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.75 -25.35 67.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.451 -0.781 . . . . 0.0 109.81 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.466 -179.685 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.644 ' HA3' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m -108.28 -88.82 0.47 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -1.15 . . . . 0.0 110.008 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.423 ' C ' ' HG1' ' A' ' 10' ' ' THR . 16.8 mt-10 -102.74 -58.03 1.95 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.727 -0.608 . . . . 0.0 112.37 -177.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 59.5 tp -60.37 -40.22 90.02 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.98 -1.075 . . . . 0.0 109.144 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.644 ' CD ' ' HA3' ' B' ' 1' ' ' GLY . 34.5 tt0 -63.95 -38.32 90.64 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.702 -1.199 . . . . 0.0 107.944 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.452 ' O ' HG22 ' B' ' 10' ' ' THR . 18.5 m -62.33 -21.23 65.12 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 10' ' ' THR . . . -69.31 -36.1 76.64 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.877 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.57 ' SD ' HD21 ' A' ' 41' ' ' LEU . 37.9 mtp -75.26 -39.97 59.31 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.078 -1.014 . . . . 0.0 110.36 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.43 -35.05 77.07 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.334 0.588 . . . . 0.0 111.269 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.0 t -74.11 -47.57 35.34 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.241 -0.912 . . . . 0.0 111.606 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 10' ' ' THR . 2.3 pp -71.87 -27.11 62.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.358 -1.464 . . . . 0.0 110.343 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.96 -35.66 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.625 -1.297 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -73.58 -40.13 64.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 109.491 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.91 -33.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.22 -42.52 95.36 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -85.51 -8.76 58.15 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.89 -32.68 27.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.415 ' CE1' ' OD2' ' B' ' 35' ' ' ASP . 52.9 t60 -111.8 -37.02 5.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.35 -0.844 . . . . 0.0 110.773 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.417 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 49.8 m -53.18 -30.3 36.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.126 -0.984 . . . . 0.0 110.188 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.16 13.07 52.23 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -89.87 -20.1 23.82 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.44 -1.035 . . . . 0.0 109.185 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -110.64 -6.09 14.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.611 -0.681 . . . . 0.0 111.415 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.06 -170.74 22.92 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.453 -2.259 . . . . 0.0 107.453 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' B' ' 27' ' ' LYS . 94.4 m-20 50.08 40.42 21.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.772 -1.428 . . . . 0.0 108.212 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -71.77 -6.76 43.75 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.621 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -78.82 -9.99 59.64 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 24' ' ' ASP . 3.7 ttmp? -158.41 160.03 36.41 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' B' ' 29' ' ' SER . 55.5 tp -80.23 167.13 20.69 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.756 -1.215 . . . . 0.0 107.729 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' B' ' 28' ' ' LEU . 73.4 m -135.84 161.44 35.59 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.742 -1.224 . . . . 0.0 109.984 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -59.93 -39.51 85.76 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.329 -0.857 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -70.61 -36.53 73.56 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.029 -1.044 . . . . 0.0 110.466 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 19' ' ' SER . 6.7 mm-40 -60.53 -50.47 73.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 111.276 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -67.84 -25.58 65.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.863 -1.148 . . . . 0.0 110.558 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 38' ' ' GLN . 4.2 tptp -60.26 -40.32 89.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.982 -1.074 . . . . 0.0 109.492 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.671 ' O ' HG23 ' B' ' 39' ' ' THR . 22.2 t0 -72.46 -39.81 67.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.837 -1.165 . . . . 0.0 110.765 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.85 -40.73 96.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.112 -0.992 . . . . 0.0 111.02 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' B' ' 45' ' ' LEU . 22.5 mt -75.82 -40.87 54.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.981 -1.074 . . . . 0.0 110.19 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 27.1 mt-30 -69.95 -20.08 63.34 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.671 HG23 ' O ' ' B' ' 35' ' ' ASP . 11.2 p -84.28 -57.36 3.2 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 112.373 -178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.468 ' C ' HD12 ' B' ' 41' ' ' LEU . 15.9 mt-10 -110.97 -29.1 8.05 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.899 -1.125 . . . . 0.0 112.727 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.515 HD21 ' SD ' ' A' ' 8' ' ' MET . 11.0 mp -108.44 23.38 14.6 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 120.916 -1.115 . . . . 0.0 110.408 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.441 ' N ' ' O ' ' B' ' 37' ' ' LEU . 79.3 p -60.36 -40.14 89.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.227 -0.921 . . . . 0.0 110.335 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -70.22 -45.26 66.91 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 111.393 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.39 -67.94 0.64 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.952 -1.092 . . . . 0.0 109.997 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' B' ' 37' ' ' LEU . 79.3 mt -81.04 95.44 6.83 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.24 90.54 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.444 -0.785 . . . . 0.0 109.697 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' B' ' 37' ' ' LEU . 1.9 p -105.53 -16.08 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -80.19 -69.86 0.56 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.064 -1.022 . . . . 0.0 112.122 -177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.467 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -56.31 -50.66 70.79 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.429 -176.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' B' ' 53' ' ' ALA . 97.8 m-20 -93.76 76.99 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.303 -1.498 . . . . 0.0 109.75 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.502 ' O ' HG12 ' B' ' 54' ' ' VAL . . . -56.79 -21.94 32.39 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.96 -27.31 66.49 Favored 'General case' 0 C--O 1.202 -1.406 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -61.06 -31.77 71.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 51' ' ' ALA . 0.3 OUTLIER -77.21 -25.85 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.912 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -71.11 -40.08 71.7 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.896 -1.128 . . . . 0.0 108.296 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -68.97 -40.12 79.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 122.229 1.014 . . . . 0.0 110.008 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -37.03 79.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 72.2 mmm -72.57 -31.1 64.98 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.806 0.812 . . . . 0.0 109.824 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -59.7 -44.49 93.65 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.399 0.619 . . . . 0.0 109.61 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -69.8 -40.02 76.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.418 -0.801 . . . . 0.0 109.468 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 73' ' ' GLU . 6.5 mp -67.47 -83.5 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.711 . . . . 0.0 109.736 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 36.4 t0 -75.04 55.76 0.73 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.13 -13.11 1.09 Allowed 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.292 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.443 ' N ' ' C ' ' B' ' 62' ' ' ASP . 66.0 t30 -77.16 -14.56 59.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.524 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.33 30.69 71.39 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.538 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 15.1 p30 -90.91 -2.71 57.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.22 -1.165 . . . . 0.0 110.215 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.542 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 69.72 2.21 35.36 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.487 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -128.86 141.41 51.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.477 -1.014 . . . . 0.0 108.375 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' B' ' 71' ' ' PHE . 16.5 t -109.72 139.86 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.718 0.77 . . . . 0.0 110.472 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 72' ' ' GLN . 7.8 t70 -81.01 25.35 0.46 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.698 -0.626 . . . . 0.0 109.595 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 13.4 p90 54.83 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.623 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 64.0 tt0 -59.95 -37.1 78.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.175 -1.578 . . . . 0.0 107.893 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 61' ' ' LEU . 35.6 mt-10 -60.1 -39.9 87.79 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.513 ' O ' HG22 ' B' ' 78' ' ' VAL . 61.3 t80 -66.58 -50.0 64.5 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 3.6 p -59.24 -40.13 80.46 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.654 -1.279 . . . . 0.0 111.168 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 76' ' ' VAL . 54.6 t -65.16 -40.32 88.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 120.951 -1.093 . . . . 0.0 112.052 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD11 ' B' ' 61' ' ' LEU . 2.0 tm? -69.23 -57.79 4.89 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.797 -1.189 . . . . 0.0 112.329 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.513 HG22 ' O ' ' B' ' 74' ' ' PHE . 6.6 m -72.6 -23.72 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.176 -0.953 . . . . 0.0 111.611 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.09 -50.9 60.03 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.827 -1.171 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.02 96.0 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.304 -0.873 . . . . 0.0 111.111 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 61.7 tp -61.24 -39.85 91.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.896 -1.128 . . . . 0.0 110.278 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.3 p -64.37 -48.67 74.57 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.201 -0.937 . . . . 0.0 112.93 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -43.89 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.502 -1.374 . . . . 0.0 109.925 -178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.78 68.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.344 -0.847 . . . . 0.0 108.948 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 63.7 m -68.71 -40.23 80.09 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.547 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -60.67 -40.26 91.43 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.542 -0.724 . . . . 0.0 110.495 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 46.8 t-20 -74.57 -27.01 60.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.925 -1.109 . . . . 0.0 109.405 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.88 -41.72 92.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.234 -0.916 . . . . 0.0 109.351 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -75.25 -28.24 59.78 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.199 -0.938 . . . . 0.0 109.14 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -65.04 -40.86 95.39 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.308 -0.87 . . . . 0.0 108.963 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.22 -39.84 91.73 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.083 -1.011 . . . . 0.0 108.771 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -65.86 -25.14 67.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.32 -0.862 . . . . 0.0 109.754 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.909 -1.043 . . . . 0.0 109.502 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_