data_2a7u_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 2a7u _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 mtt . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 110.149 -0.315 . . . . 5.3099999999999996 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' HG3' ' HB2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -121.28 99.67 6.61 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.548 -0.72 . . . . 3.3300000000000001 110.948 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 2' ' ' GLN . 2.5 tt 178.92 -34.64 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.74 -0.6 . . . . 3.1699999999999999 110.592 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.47 172.43 8.39 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.794 -1.191 . . . . 2.6499999999999999 110.288 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -44.23 -35.28 2.2 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.072 -1.017 . . . . 1.71 112.915 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.512 2.629 0 O-C-N 120.841 -1.162 . . . . 1.53 112.176 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.562 ' HB2' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -82.64 -19.02 39.09 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.948 -1.095 . . . . 1.3600000000000001 111.847 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.578 HG22 ' CD1' ' A' ' 12' ' ' ILE . 6.4 tp -53.79 -13.92 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.976 -1.078 . . . . 1.6899999999999999 111.796 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 2.2 t -40.54 -55.39 2.33 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.119 -0.988 . . . . 0.78000000000000003 111.757 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.06 94.43 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.871 -1.143 . . . . 2.3100000000000001 110.595 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -42.64 94.2 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.157 -1.053 . . . . 1.4199999999999999 108.157 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.578 ' CD1' HG22 ' A' ' 8' ' ' ILE . 86.5 mt -60.49 -51.85 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.64 -0.662 . . . . 1.0600000000000001 109.637 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' B' ' 16' ' ' ASP . 11.9 ttmt -50.04 -39.37 41.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.652 -0.655 . . . . 1.28 110.541 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -74.59 -35.67 62.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.371 -0.83 . . . . 2.52 110.748 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 3.2 mmt-85 -88.18 -43.22 11.78 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.904 -1.122 . . . . 2.3999999999999999 111.233 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' B' ' 71' ' ' ASN . 0.3 OUTLIER -55.32 -37.73 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.994 -1.066 . . . . 1.0600000000000001 110.592 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.79 -24.75 13.29 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.139 -0.975 . . . . 1.0900000000000001 111.656 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.533 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -131.5 44.21 2.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.846 -1.159 . . . . 1.95 111.877 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 71.9 t80 -64.71 -61.91 1.9 Allowed 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.497 -1.377 . . . . 2.5099999999999998 110.492 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -84.21 45.6 1.12 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.234 -0.916 . . . . 2.9199999999999999 111.353 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.533 ' HB ' ' CG ' ' A' ' 18' ' ' GLN . 3.3 t -140.83 41.06 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.134 -0.979 . . . . 2.6499999999999999 109.416 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 117.593 -1.194 . . . . 4.04 111.013 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.504 2.226 0 CA-C-O 121.149 0.5 . . . . 2.8700000000000001 110.388 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.586 ' HG2' ' NH1' ' B' ' 84' ' ' ARG . 1.7 mt-10 -137.63 56.71 1.75 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.994 -1.066 . . . . 2.5299999999999998 111.429 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.9 64.44 3.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.943 -1.098 . . . . 2.25 110.494 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 pp -54.5 -30.83 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.068 -1.02 . . . . 1.99 110.264 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 91.6 m -61.32 -24.64 66.58 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.179 -0.951 . . . . 1.8200000000000001 111.234 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.473 HG22 ' CE2' ' B' ' 10' ' ' TYR . 0.7 OUTLIER -64.53 -28.29 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -0.925 . . . . 1.0700000000000001 111.153 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.592 ' CB ' HG13 ' B' ' 91' ' ' VAL . . . -65.54 -36.74 84.7 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.051 -1.03 . . . . 1.1100000000000001 111.034 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.545 ' HB3' ' HD3' ' B' ' 9' ' ' PRO . 4.3 ttt85 -53.42 -55.52 33.86 Favored Pre-proline 0 N--CA 1.503 2.216 0 O-C-N 121.369 -0.832 . . . . 3.73 111.132 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' B' ' 8' ' ' ARG . 42.9 Cg_endo -68.75 -40.62 6.89 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 O-C-N 123.432 1.227 . . . . 0.31 110.107 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' B' ' 6' ' ' VAL . 1.8 m-85 -52.78 -52.22 57.54 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.261 -0.899 . . . . 2.1400000000000001 110.18 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' B' ' 94' ' ' GLN . . . -57.32 -37.77 73.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.488 -0.757 . . . . 1.25 110.69 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.58 ' HA ' ' CD2' ' B' ' 98' ' ' LEU . 68.8 tttt -82.09 -57.85 3.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 2.5699999999999998 111.67 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . -50.8 -40.3 55.11 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.989 -1.069 . . . . 1.0900000000000001 110.314 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.437 ' HB3' ' HZ2' ' B' ' 27' ' ' TRP . . . -71.36 -26.19 62.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 1.1200000000000001 109.717 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -81.83 -43.41 18.31 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.41 -0.806 . . . . 1.1699999999999999 109.846 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.509 ' HB3' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -40.16 -62.56 0.72 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-O 121.478 0.656 . . . . 1.21 110.956 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -30.83 64.0 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.158 -0.964 . . . . 2.2200000000000002 110.746 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 14' ' ' ALA . . . -58.07 -25.45 61.28 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.927 -1.108 . . . . 0.96999999999999997 109.798 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 86.5 t -79.32 -48.84 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 1.1200000000000001 110.046 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.26 -45.13 72.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.577 -0.702 . . . . 2.3700000000000001 111.173 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -88.56 19.36 3.95 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.959 -1.088 . . . . 2.0099999999999998 111.035 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.01 31.54 4.91 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.29 -0.881 . . . . 2.7999999999999998 111.168 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.418 ' O ' ' C ' ' B' ' 24' ' ' VAL . 15.8 m -83.7 -33.61 25.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.915 -1.116 . . . . 1.1399999999999999 110.627 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' B' ' 23' ' ' SER . 6.5 t -30.55 -50.63 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 N-CA-C 112.484 0.55 . . . . 1.1200000000000001 112.484 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -53.1 -68.6 0.16 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.675 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -67.88 -29.58 68.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.918 -1.114 . . . . 3.6299999999999999 110.167 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.438 ' CE2' HD12 ' B' ' 31' ' ' LEU . 19.5 t90 -61.4 -35.37 77.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.374 -0.829 . . . . 0.56999999999999995 110.907 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.483 ' HA ' ' CE2' ' B' ' 95' ' ' PHE . 0.4 OUTLIER -51.76 -45.02 63.57 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.277 -0.889 . . . . 1.77 110.54 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.28 -53.52 57.31 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.579 -0.701 . . . . 1.5600000000000001 109.986 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.407 ' HE1' ' HA ' ' B' ' 27' ' ' TRP . 18.0 mtm -46.76 -51.5 16.14 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.735 -0.603 . . . . 2.1699999999999999 111.077 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.516 HD23 ' CD2' ' B' ' 95' ' ' PHE . 3.6 mp -68.93 -39.45 79.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.147 -0.971 . . . . 1.8300000000000001 110.302 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.8 -53.95 51.98 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.235 -0.916 . . . . 1.27 109.595 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.76 -42.51 97.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.451 -0.781 . . . . 1.0700000000000001 110.136 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.451 ' O ' HG11 ' B' ' 37' ' ' VAL . . . -60.34 -48.98 79.4 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.962 . . . . 1.1699999999999999 110.359 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.616 ' HA ' ' HB3' ' B' ' 88' ' ' LEU . . . -63.68 -30.17 71.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.18 -0.95 . . . . 1.25 110.961 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -40.55 68.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 1.75 111.019 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.451 HG11 ' O ' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -71.9 -36.25 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.103 -0.998 . . . . 1.0600000000000001 110.999 -179.699 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.674 ' CG2' ' HB2' ' B' ' 88' ' ' LEU . 0.7 OUTLIER -62.06 -31.94 72.41 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.847 -1.158 . . . . 1.1899999999999999 111.088 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.46 37.29 1.12 Allowed 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.706 0.765 . . . . 2.6699999999999999 109.204 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' B' ' 41' ' ' GLU . 33.6 t-20 -114.33 116.31 28.75 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.937 -0.764 . . . . 1.6599999999999999 108.937 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 40' ' ' ASN . 0.6 OUTLIER -29.47 -64.21 0.11 Allowed 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 112.601 0.593 . . . . 2.1099999999999999 112.601 -178.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.67 -45.21 89.93 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.281 -0.887 . . . . 3.1499999999999999 112.087 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 6.8 tpt -69.1 -35.31 76.33 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.842 -1.161 . . . . 1.1100000000000001 110.415 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.1 66.84 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.331 -0.856 . . . . 1.49 110.568 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.41 -44.88 95.39 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.374 -0.828 . . . . 2.7400000000000002 109.906 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -38.67 68.31 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.535 -0.728 . . . . 2.3399999999999999 110.249 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.487 HD21 HD13 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -72.82 -48.9 33.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.522 -0.736 . . . . 1.45 110.722 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.62 65.58 6.97 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.04 -1.038 . . . . 2.5499999999999998 110.611 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.58 -40.22 1.64 Allowed Glycine 0 N--CA 1.502 3.097 0 O-C-N 121.133 -0.979 . . . . 1.8200000000000001 111.42 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.88 178.85 8.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.709 -1.465 . . . . 1.96 111.92 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.16 -16.77 60.5 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.554 -0.716 . . . . 2.6400000000000001 110.375 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.45 117.27 65.35 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.236 -0.915 . . . . 1.3 110.785 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.436 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 42.6 Cg_endo -69.66 -23.39 31.3 Favored 'Trans proline' 0 N--CA 1.492 1.382 0 O-C-N 123.993 1.523 . . . . 0.67000000000000004 111.974 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 55' ' ' THR . 1.6 pt-20 -59.01 -46.76 87.39 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.816 -1.177 . . . . 2.6400000000000001 111.622 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.533 ' H ' ' HG2' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -52.32 -40.24 61.64 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.137 -0.977 . . . . 1.8300000000000001 111.593 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' B' ' 80' ' ' ALA . 1.7 pp -97.23 -21.99 16.96 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.102 -0.999 . . . . 1.1899999999999999 111.792 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -64.38 0.87 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.973 -1.079 . . . . 1.1299999999999999 111.644 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.489 ' O ' HG13 ' B' ' 61' ' ' ILE . 3.8 pt-20 -69.38 -33.97 73.84 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.825 -1.172 . . . . 2.5299999999999998 110.677 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -56.34 -43.82 79.45 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.79 -1.194 . . . . 1.4199999999999999 110.139 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.442 ' O ' HG12 ' B' ' 63' ' ' VAL . 55.8 t80 -62.73 -58.78 6.28 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.43 -0.794 . . . . 0.81000000000000005 111.827 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 58' ' ' GLU . 2.6 pp -58.54 -27.89 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.334 0 O-C-N 120.656 -1.278 . . . . 2.1299999999999999 110.677 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.6 -51.38 17.06 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.122 -0.986 . . . . 1.3400000000000001 110.721 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 60' ' ' PHE . 5.5 p -56.66 -22.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.126 -0.984 . . . . 1.0800000000000001 111.017 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' CYS . . . . . 0.439 ' O ' ' HG2' ' B' ' 67' ' ' GLN . 8.3 t -72.65 -13.57 61.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.129 -0.982 . . . . 1.0 110.779 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.75 34.0 7.14 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.133 -1.187 . . . . 1.3400000000000001 110.133 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 48.51 21.48 0.4 Allowed 'General case' 0 N--CA 1.508 2.455 0 O-C-N 121.735 -0.862 . . . . 2.8300000000000001 112.508 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 64' ' ' CYS . 0.0 OUTLIER -93.06 45.34 1.17 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.522 -1.361 . . . . 2.1299999999999999 111.304 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.434 ' HB3' ' HA3' ' B' ' 72' ' ' GLY . 18.1 mt -127.15 125.08 40.53 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.201 -0.937 . . . . 1.3899999999999999 110.385 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -65.41 174.5 2.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.402 -0.811 . . . . 1.1200000000000001 110.599 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -38.47 -55.24 1.42 Allowed 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.461 -0.774 . . . . 2.6299999999999999 111.695 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 3.5 p-10 -54.83 -35.28 63.78 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.02 -1.05 . . . . 2.8300000000000001 111.824 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' B' ' 68' ' ' LEU . . . -61.74 -39.41 97.4 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 109.411 -1.476 . . . . 0.25 109.411 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -76.81 -38.56 53.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.451 -1.029 . . . . 1.5600000000000001 109.99 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.82 -40.82 83.77 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.399 -0.813 . . . . 1.1599999999999999 110.676 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.499 ' HG ' ' HG3' ' B' ' 79' ' ' MET . 0.4 OUTLIER -65.42 -52.92 49.94 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.284 -0.885 . . . . 1.05 111.616 -179.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' B' ' 76' ' ' ILE . 31.7 mm -54.72 -42.62 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.093 -1.004 . . . . 1.05 111.243 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -54.44 32.53 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.775 -1.203 . . . . 2.8999999999999999 109.55 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.42 -45.53 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.285 -0.884 . . . . 1.1200000000000001 109.555 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.666 ' CB ' HD21 ' B' ' 85' ' ' LEU . 2.4 mmm -58.68 -40.9 84.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.45 -0.781 . . . . 1.02 109.448 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' B' ' 85' ' ' LEU . . . -71.05 -40.05 71.89 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 109.125 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.97 -30.74 36.74 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 121.368 0.604 . . . . 1.8600000000000001 110.498 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.61 5.94 40.58 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.139 -0.976 . . . . 2.0800000000000001 111.675 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.34 39.42 87.66 Favored Glycine 0 N--CA 1.501 2.997 0 O-C-N 120.795 -1.191 . . . . 2.8799999999999999 110.99 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ARG . . . . . 0.692 ' HG3' ' HB1' ' B' ' 87' ' ' ALA . 0.1 OUTLIER -160.24 33.08 0.17 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.299 -1.118 . . . . 4.8499999999999996 111.657 179.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.666 HD21 ' CB ' ' B' ' 79' ' ' MET . 0.2 OUTLIER -60.76 -23.8 65.25 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 120.852 -1.155 . . . . 1.1299999999999999 110.584 178.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -71.41 -7.03 44.65 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.547 -1.346 . . . . 1.99 111.44 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.692 ' HB1' ' HG3' ' B' ' 84' ' ' ARG . . . -85.59 40.69 0.86 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.924 -1.11 . . . . 1.1799999999999999 111.123 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.674 ' HB2' ' CG2' ' B' ' 38' ' ' THR . 0.0 OUTLIER -68.39 -40.09 18.56 Favored Pre-proline 0 N--CA 1.5 2.051 0 O-C-N 120.862 -1.148 . . . . 1.1699999999999999 111.143 179.206 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' B' ' 88' ' ' LEU . 39.7 Cg_endo -69.11 -35.75 13.92 Favored 'Trans proline' 0 N--CA 1.487 1.112 0 N-CA-C 108.937 -1.216 . . . . 0.55000000000000004 108.937 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . 0.431 ' C ' ' HB1' ' B' ' 7' ' ' ALA . 1.5 m-20 -51.43 -33.92 32.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.677 0.751 . . . . 1.7 109.182 177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . 0.592 HG13 ' CB ' ' B' ' 7' ' ' ALA . 0.8 OUTLIER -89.75 -37.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.301 -0.875 . . . . 2.1600000000000001 109.748 179.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.499 ' HB3' ' HA ' ' B' ' 89' ' ' PRO . 1.1 tp -52.68 -55.65 21.07 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.379 -0.826 . . . . 1.25 110.405 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -52.26 -42.99 64.13 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.51 -0.744 . . . . 1.5800000000000001 109.656 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.474 ' HB3' ' CB ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -64.37 -47.21 80.14 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.455 -0.778 . . . . 0.41999999999999998 109.719 178.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . 0.516 ' CD2' HD23 ' B' ' 31' ' ' LEU . 1.1 t80 -58.66 -45.75 88.69 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.544 -0.723 . . . . 1.79 111.255 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.29 -43.06 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 121.046 -1.034 . . . . 1.1399999999999999 109.814 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -65.96 -38.73 89.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.435 -0.791 . . . . 2.2599999999999998 109.882 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.58 ' CD2' ' HA ' ' B' ' 12' ' ' LYS . 1.1 mp -57.34 -41.35 79.88 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.152 -0.968 . . . . 1.1799999999999999 109.209 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.7 -50.19 73.45 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.426 -0.909 . . . . 3.5699999999999998 108.593 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.44 65.85 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.272 -0.893 . . . . 1.3 110.058 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.45 -39.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.051 -1.031 . . . . 2.25 109.179 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.7 t -72.61 -33.1 66.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.166 -0.959 . . . . 1.9099999999999999 109.168 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.57 37.28 0.86 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.584 -0.697 . . . . 2.1200000000000001 110.141 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.48 -28.35 0.59 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 111.874 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.5 2.053 0 CA-C-O 117.73 -1.129 . . . . 3.5499999999999998 110.796 -179.157 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 mtt . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 110.149 -0.315 . . . . 4.6100000000000003 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.604 ' HG3' ' HB2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -121.28 99.67 6.61 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.548 -0.72 . . . . 2.9100000000000001 110.948 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 2' ' ' GLN . 2.5 tt 178.92 -34.64 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.74 -0.6 . . . . 2.6800000000000002 110.592 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.47 172.43 8.39 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.794 -1.191 . . . . 2.2400000000000002 110.288 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.632 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.7 t -44.23 -35.28 2.2 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.072 -1.017 . . . . 1.1899999999999999 112.915 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.512 2.629 0 O-C-N 120.841 -1.162 . . . . 1.04 112.176 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.604 ' HB2' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -82.64 -19.02 39.09 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.948 -1.095 . . . . 1.3600000000000001 111.847 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.668 HG23 ' CD1' ' A' ' 12' ' ' ILE . 6.4 tp -53.79 -13.92 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.976 -1.078 . . . . 1.0700000000000001 111.796 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.421 ' HA ' HD12 ' A' ' 12' ' ' ILE . 2.2 t -40.54 -55.39 2.33 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.119 -0.988 . . . . 0.33000000000000002 111.757 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.06 94.43 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.871 -1.143 . . . . 2.3100000000000001 110.595 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -42.64 94.2 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.157 -1.053 . . . . 0.65000000000000002 108.157 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.668 ' CD1' HG23 ' A' ' 8' ' ' ILE . 86.5 mt -60.49 -51.85 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.64 -0.662 . . . . 0.28000000000000003 109.637 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HD3' ' HB3' ' B' ' 16' ' ' ASP . 11.9 ttmt -50.04 -39.37 41.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.652 -0.655 . . . . 0.58999999999999997 110.541 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -74.59 -35.67 62.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.371 -0.83 . . . . 2.0600000000000001 110.748 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 3.2 mmt-85 -88.18 -43.22 11.78 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.904 -1.122 . . . . 1.9399999999999999 111.233 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.502 ' CD1' ' HB2' ' B' ' 71' ' ' ASN . 0.3 OUTLIER -55.32 -37.73 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.994 -1.066 . . . . 0.27000000000000002 110.592 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.79 -24.75 13.29 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.139 -0.975 . . . . 0.35999999999999999 111.656 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -131.5 44.21 2.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.846 -1.159 . . . . 1.95 111.877 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 71.9 t80 -64.71 -61.91 1.9 Allowed 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.497 -1.377 . . . . 1.78 110.492 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -84.21 45.6 1.12 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.234 -0.916 . . . . 2.3900000000000001 111.353 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 ' HB ' ' CG ' ' A' ' 18' ' ' GLN . 3.3 t -140.83 41.06 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.134 -0.979 . . . . 2.1499999999999999 109.416 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 117.593 -1.194 . . . . 3.9199999999999999 111.013 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.504 2.226 0 CA-C-O 121.149 0.5 . . . . 2.5 110.388 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.621 ' HG2' ' NH1' ' B' ' 84' ' ' ARG . 1.7 mt-10 -137.63 56.71 1.75 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.994 -1.066 . . . . 2.5299999999999998 111.429 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.9 64.44 3.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.943 -1.098 . . . . 1.4199999999999999 110.494 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 pp -54.5 -30.83 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.068 -1.02 . . . . 1.3300000000000001 110.264 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.418 ' O ' ' HD2' ' B' ' 9' ' ' PRO . 91.6 m -61.32 -24.64 66.58 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.179 -0.951 . . . . 1.3200000000000001 111.234 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.769 HG22 ' CE2' ' B' ' 10' ' ' TYR . 0.7 OUTLIER -64.53 -28.29 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -0.925 . . . . 0.28999999999999998 111.153 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.583 ' CB ' HG12 ' B' ' 91' ' ' VAL . . . -65.54 -36.74 84.7 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.051 -1.03 . . . . 0.45000000000000001 111.034 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.571 ' HB3' ' HD3' ' B' ' 9' ' ' PRO . 4.3 ttt85 -53.42 -55.52 33.86 Favored Pre-proline 0 N--CA 1.503 2.216 0 O-C-N 121.369 -0.832 . . . . 2.8999999999999999 111.132 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' B' ' 8' ' ' ARG . 42.9 Cg_endo -68.75 -40.62 6.89 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 O-C-N 123.432 1.227 . . . . 0.31 110.107 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.769 ' CE2' HG22 ' B' ' 6' ' ' VAL . 1.8 m-85 -52.78 -52.22 57.54 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.261 -0.899 . . . . 1.23 110.18 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' B' ' 94' ' ' GLN . . . -57.32 -37.77 73.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.488 -0.757 . . . . 0.5 110.69 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.64 ' HG3' HD21 ' B' ' 98' ' ' LEU . 68.8 tttt -82.09 -57.85 3.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 2.1200000000000001 111.67 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.414 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . . . -50.8 -40.3 55.11 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.989 -1.069 . . . . 0.33000000000000002 110.314 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.683 ' HB1' ' HZ2' ' B' ' 27' ' ' TRP . . . -71.36 -26.19 62.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.40999999999999998 109.717 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.57 ' CG ' HD23 ' B' ' 98' ' ' LEU . 78.5 t80 -81.83 -43.41 18.31 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.41 -0.806 . . . . 0.85999999999999999 109.846 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -40.16 -62.56 0.72 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-O 121.478 0.656 . . . . 1.21 110.956 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -30.83 64.0 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.158 -0.964 . . . . 1.74 110.746 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' B' ' 15' ' ' PHE . . . -58.07 -25.45 61.28 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.927 -1.108 . . . . 0.35999999999999999 109.798 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.613 HG22 HG21 ' B' ' 24' ' ' VAL . 86.5 t -79.32 -48.84 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.55000000000000004 110.046 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.26 -45.13 72.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.577 -0.702 . . . . 2.3700000000000001 111.173 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -88.56 19.36 3.95 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.959 -1.088 . . . . 1.4199999999999999 111.035 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.01 31.54 4.91 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.29 -0.881 . . . . 2.2000000000000002 111.168 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.418 ' O ' ' C ' ' B' ' 24' ' ' VAL . 15.8 m -83.7 -33.61 25.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.915 -1.116 . . . . 0.53000000000000003 110.627 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.613 HG21 HG22 ' B' ' 19' ' ' VAL . 6.5 t -30.55 -50.63 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 N-CA-C 112.484 0.55 . . . . 0.35999999999999999 112.484 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -53.1 -68.6 0.16 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.675 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -67.88 -29.58 68.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.918 -1.114 . . . . 3.0499999999999998 110.167 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.683 ' HZ2' ' HB1' ' B' ' 14' ' ' ALA . 19.5 t90 -61.4 -35.37 77.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.374 -0.829 . . . . 0.52000000000000002 110.907 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.501 ' HA ' ' CE2' ' B' ' 95' ' ' PHE . 0.4 OUTLIER -51.76 -45.02 63.57 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.277 -0.889 . . . . 1.77 110.54 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.28 -53.52 57.31 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.579 -0.701 . . . . 1.5600000000000001 109.986 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.45 ' SD ' HD23 ' B' ' 68' ' ' LEU . 18.0 mtm -46.76 -51.5 16.14 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.735 -0.603 . . . . 1.4199999999999999 111.077 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.93 -39.45 79.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.147 -0.971 . . . . 1.21 110.302 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.8 -53.95 51.98 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.235 -0.916 . . . . 0.66000000000000003 109.595 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.76 -42.51 97.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.451 -0.781 . . . . 0.73999999999999999 110.136 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.495 ' O ' HG12 ' B' ' 37' ' ' VAL . . . -60.34 -48.98 79.4 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.962 . . . . 0.37 110.359 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.622 ' HA ' ' HB3' ' B' ' 88' ' ' LEU . . . -63.68 -30.17 71.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.18 -0.95 . . . . 0.68999999999999995 110.961 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -40.55 68.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 1.75 111.019 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -71.9 -36.25 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.103 -0.998 . . . . 0.46999999999999997 110.999 -179.699 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . 1.07 HG21 ' HB2' ' B' ' 88' ' ' LEU . 0.7 OUTLIER -62.06 -31.94 72.41 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.847 -1.158 . . . . 0.47999999999999998 111.088 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.46 37.29 1.12 Allowed 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.706 0.765 . . . . 2.2599999999999998 109.204 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' B' ' 41' ' ' GLU . 33.6 t-20 -114.33 116.31 28.75 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.937 -0.764 . . . . 1.47 108.937 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 40' ' ' ASN . 0.6 OUTLIER -29.47 -64.21 0.11 Allowed 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 112.601 0.593 . . . . 2.1099999999999999 112.601 -178.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.67 -45.21 89.93 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.281 -0.887 . . . . 2.5699999999999998 112.087 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.503 ' CE ' HG11 ' B' ' 63' ' ' VAL . 6.8 tpt -69.1 -35.31 76.33 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.842 -1.161 . . . . 0.55000000000000004 110.415 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.1 66.84 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.331 -0.856 . . . . 1.05 110.568 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.41 -44.88 95.39 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.374 -0.828 . . . . 2.7400000000000002 109.906 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -38.67 68.31 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.535 -0.728 . . . . 1.72 110.249 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.805 HD21 HD13 ' B' ' 85' ' ' LEU . 0.2 OUTLIER -72.82 -48.9 33.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.522 -0.736 . . . . 0.75 110.722 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.62 65.58 6.97 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.04 -1.038 . . . . 2.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.58 -40.22 1.64 Allowed Glycine 0 N--CA 1.502 3.097 0 O-C-N 121.133 -0.979 . . . . 1.4299999999999999 111.42 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.88 178.85 8.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.709 -1.465 . . . . 1.55 111.92 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.16 -16.77 60.5 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.554 -0.716 . . . . 2.1299999999999999 110.375 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.45 117.27 65.35 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.236 -0.915 . . . . 0.81000000000000005 110.785 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.443 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 42.6 Cg_endo -69.66 -23.39 31.3 Favored 'Trans proline' 0 N--CA 1.492 1.382 0 O-C-N 123.993 1.523 . . . . 0.56999999999999995 111.974 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.539 ' HG2' ' H ' ' B' ' 55' ' ' THR . 1.6 pt-20 -59.01 -46.76 87.39 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.816 -1.177 . . . . 2.6400000000000001 111.622 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.539 ' H ' ' HG2' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -52.32 -40.24 61.64 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.137 -0.977 . . . . 1.3200000000000001 111.593 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 85' ' ' LEU . 1.7 pp -97.23 -21.99 16.96 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.102 -0.999 . . . . 0.39000000000000001 111.792 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -64.38 0.87 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.973 -1.079 . . . . 0.42999999999999999 111.644 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.496 ' O ' HG13 ' B' ' 61' ' ' ILE . 3.8 pt-20 -69.38 -33.97 73.84 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.825 -1.172 . . . . 2.5299999999999998 110.677 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -56.34 -43.82 79.45 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.79 -1.194 . . . . 0.92000000000000004 110.139 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.919 ' HE2' HG23 ' B' ' 38' ' ' THR . 55.8 t80 -62.73 -58.78 6.28 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.43 -0.794 . . . . 0.51000000000000001 111.827 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 58' ' ' GLU . 2.6 pp -58.54 -27.89 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.334 0 O-C-N 120.656 -1.278 . . . . 1.3600000000000001 110.677 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.6 -51.38 17.06 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.122 -0.986 . . . . 0.64000000000000001 110.721 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.691 HG12 ' O ' ' B' ' 60' ' ' PHE . 5.5 p -56.66 -22.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.126 -0.984 . . . . 0.46999999999999997 111.017 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' CYS . . . . . 0.461 ' O ' ' HG2' ' B' ' 67' ' ' GLN . 8.3 t -72.65 -13.57 61.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.129 -0.982 . . . . 0.57999999999999996 110.779 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.75 34.0 7.14 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.133 -1.187 . . . . 1.3400000000000001 110.133 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 48.51 21.48 0.4 Allowed 'General case' 0 N--CA 1.508 2.455 0 O-C-N 121.735 -0.862 . . . . 2.8300000000000001 112.508 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 64' ' ' CYS . 0.0 OUTLIER -93.06 45.34 1.17 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.522 -1.361 . . . . 1.8500000000000001 111.304 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.45 HD23 ' SD ' ' B' ' 30' ' ' MET . 18.1 mt -127.15 125.08 40.53 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.201 -0.937 . . . . 0.72999999999999998 110.385 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -65.41 174.5 2.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.402 -0.811 . . . . 1.1200000000000001 110.599 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -38.47 -55.24 1.42 Allowed 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.461 -0.774 . . . . 2.6299999999999999 111.695 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASN . . . . . 0.502 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p-10 -54.83 -35.28 63.78 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.02 -1.05 . . . . 2.1400000000000001 111.824 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' B' ' 68' ' ' LEU . . . -61.74 -39.41 97.4 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 109.411 -1.476 . . . . 0.20000000000000001 109.411 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -76.81 -38.56 53.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.451 -1.029 . . . . 0.94999999999999996 109.99 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.82 -40.82 83.77 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.399 -0.813 . . . . 0.81000000000000005 110.676 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.524 ' HG ' ' HG3' ' B' ' 79' ' ' MET . 0.4 OUTLIER -65.42 -52.92 49.94 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.284 -0.885 . . . . 0.14999999999999999 111.616 -179.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.519 HG23 HD11 ' B' ' 85' ' ' LEU . 31.7 mm -54.72 -42.62 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.093 -1.004 . . . . 0.20999999999999999 111.243 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -54.44 32.53 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.775 -1.203 . . . . 2.4300000000000002 109.55 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.42 -45.53 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.285 -0.884 . . . . 0.32000000000000001 109.555 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.738 ' CB ' HD23 ' B' ' 85' ' ' LEU . 2.4 mmm -58.68 -40.9 84.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.45 -0.781 . . . . 0.32000000000000001 109.448 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' B' ' 85' ' ' LEU . . . -71.05 -40.05 71.89 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.19 -0.944 . . . . 0.48999999999999999 109.125 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.97 -30.74 36.74 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 121.368 0.604 . . . . 1.8600000000000001 110.498 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.61 5.94 40.58 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.139 -0.976 . . . . 2.0800000000000001 111.675 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.34 39.42 87.66 Favored Glycine 0 N--CA 1.501 2.997 0 O-C-N 120.795 -1.191 . . . . 2.25 110.99 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ARG . . . . . 0.621 ' NH1' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -160.24 33.08 0.17 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.299 -1.118 . . . . 4.2199999999999998 111.657 179.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.805 HD13 HD21 ' B' ' 47' ' ' LEU . 0.2 OUTLIER -60.76 -23.8 65.25 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 120.852 -1.155 . . . . 0.51000000000000001 110.584 178.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -71.41 -7.03 44.65 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.547 -1.346 . . . . 1.5900000000000001 111.44 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.429 ' O ' HG13 ' B' ' 91' ' ' VAL . . . -85.59 40.69 0.86 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.924 -1.11 . . . . 0.68000000000000005 111.123 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 1.07 ' HB2' HG21 ' B' ' 38' ' ' THR . 0.0 OUTLIER -68.39 -40.09 18.56 Favored Pre-proline 0 N--CA 1.5 2.051 0 O-C-N 120.862 -1.148 . . . . 0.51000000000000001 111.143 179.206 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' B' ' 88' ' ' LEU . 39.7 Cg_endo -69.11 -35.75 13.92 Favored 'Trans proline' 0 N--CA 1.487 1.112 0 N-CA-C 108.937 -1.216 . . . . 0.47999999999999998 108.937 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ASP . . . . . 0.461 ' C ' ' HB1' ' B' ' 7' ' ' ALA . 1.5 m-20 -51.43 -33.92 32.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.677 0.751 . . . . 1.7 109.182 177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.583 HG12 ' CB ' ' B' ' 7' ' ' ALA . 0.8 OUTLIER -89.75 -37.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.301 -0.875 . . . . 1.51 109.748 179.152 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.585 ' HB3' ' HA ' ' B' ' 89' ' ' PRO . 1.1 tp -52.68 -55.65 21.07 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.379 -0.826 . . . . 0.53000000000000003 110.405 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -52.26 -42.99 64.13 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.51 -0.744 . . . . 1.5800000000000001 109.656 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.49 ' HB3' ' CB ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -64.37 -47.21 80.14 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.455 -0.778 . . . . 0.39000000000000001 109.719 178.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 95' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' B' ' 28' ' ' GLN . 1.1 t80 -58.66 -45.75 88.69 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.544 -0.723 . . . . 1.4099999999999999 111.255 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.29 -43.06 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 121.046 -1.034 . . . . 0.54000000000000004 109.814 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -65.96 -38.73 89.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.435 -0.791 . . . . 1.3899999999999999 109.882 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.64 HD21 ' HG3' ' B' ' 12' ' ' LYS . 1.1 mp -57.34 -41.35 79.88 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.152 -0.968 . . . . 0.46000000000000002 109.209 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.7 -50.19 73.45 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.426 -0.909 . . . . 3.0099999999999998 108.593 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.44 65.85 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.272 -0.893 . . . . 0.68999999999999995 110.058 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.45 -39.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.051 -1.031 . . . . 1.6299999999999999 109.179 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.7 t -72.61 -33.1 66.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.166 -0.959 . . . . 1.5800000000000001 109.168 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.57 37.28 0.86 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.584 -0.697 . . . . 2.1200000000000001 110.141 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.48 -28.35 0.59 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 111.874 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.5 2.053 0 CA-C-O 117.73 -1.129 . . . . 3.0099999999999998 110.796 -179.157 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 mtt . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 110.149 -0.315 . . . . 4.61 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.604 ' HG3' ' HB2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -121.28 99.67 6.61 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.548 -0.72 . . . . 2.91 110.948 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 2' ' ' GLN . 2.5 tt 178.92 -34.64 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.74 -0.6 . . . . 2.68 110.592 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.47 172.43 8.39 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.794 -1.191 . . . . 2.24 110.288 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.632 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.7 t -44.23 -35.28 2.2 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.072 -1.017 . . . . 1.19 112.915 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.512 2.629 0 O-C-N 120.841 -1.162 . . . . 1.04 112.176 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.604 ' HB2' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -82.64 -19.02 39.09 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.948 -1.095 . . . . 1.36 111.847 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.668 HG23 ' CD1' ' A' ' 12' ' ' ILE . 6.4 tp -53.79 -13.92 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.976 -1.078 . . . . 1.07 111.796 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.421 ' HA ' HD12 ' A' ' 12' ' ' ILE . 2.2 t -40.54 -55.39 2.33 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.119 -0.988 . . . . 0.33 111.757 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.06 94.43 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.871 -1.143 . . . . 2.31 110.595 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -42.64 94.2 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.157 -1.053 . . . . 0.65 108.157 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.668 ' CD1' HG23 ' A' ' 8' ' ' ILE . 86.5 mt -60.49 -51.85 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.64 -0.662 . . . . 0.28 109.637 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HD3' ' HB3' ' B' ' 16' ' ' ASP . 11.9 ttmt -50.04 -39.37 41.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.652 -0.655 . . . . 0.59 110.541 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -74.59 -35.67 62.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.371 -0.83 . . . . 2.06 110.748 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 3.2 mmt-85 -88.18 -43.22 11.78 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.904 -1.122 . . . . 1.94 111.233 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.502 ' CD1' ' HB2' ' B' ' 71' ' ' ASN . 0.3 OUTLIER -55.32 -37.73 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.994 -1.066 . . . . 0.27 110.592 -179.652 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.79 -24.75 13.29 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.139 -0.975 . . . . 0.36 111.656 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -131.5 44.21 2.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.846 -1.159 . . . . 1.95 111.877 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 71.9 t80 -64.71 -61.91 1.9 Allowed 'General case' 0 N--CA 1.505 2.317 0 O-C-N 120.497 -1.377 . . . . 1.78 110.492 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -84.21 45.6 1.12 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.234 -0.916 . . . . 2.39 111.353 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 ' HB ' ' CG ' ' A' ' 18' ' ' GLN . 3.3 t -140.83 41.06 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.134 -0.979 . . . . 2.15 109.416 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 117.593 -1.194 . . . . 3.92 111.013 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.504 2.226 0 CA-C-O 121.149 0.5 . . . . 2.5 110.388 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.621 ' HG2' ' NH1' ' B' ' 84' ' ' ARG . 1.7 mt-10 -137.63 56.71 1.75 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.994 -1.066 . . . . 2.53 111.429 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.9 64.44 3.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.943 -1.098 . . . . 1.42 110.494 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 pp -54.5 -30.83 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.068 -1.02 . . . . 1.33 110.264 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.418 ' O ' ' HD2' ' B' ' 9' ' ' PRO . 91.6 m -61.32 -24.64 66.58 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.179 -0.951 . . . . 1.32 111.234 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.769 HG22 ' CE2' ' B' ' 10' ' ' TYR . 0.7 OUTLIER -64.53 -28.29 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.22 -0.925 . . . . 0.29 111.153 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.583 ' CB ' HG12 ' B' ' 91' ' ' VAL . . . -65.54 -36.74 84.7 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.051 -1.03 . . . . 0.45 111.034 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.571 ' HB3' ' HD3' ' B' ' 9' ' ' PRO . 4.3 ttt85 -53.42 -55.52 33.86 Favored Pre-proline 0 N--CA 1.503 2.216 0 O-C-N 121.369 -0.832 . . . . 2.9 111.132 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' B' ' 8' ' ' ARG . 42.9 Cg_endo -68.75 -40.62 6.89 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 O-C-N 123.432 1.227 . . . . 0.31 110.107 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.769 ' CE2' HG22 ' B' ' 6' ' ' VAL . 1.8 m-85 -52.78 -52.22 57.54 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.261 -0.899 . . . . 1.23 110.18 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' B' ' 94' ' ' GLN . . . -57.32 -37.77 73.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.488 -0.757 . . . . 0.5 110.69 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.64 ' HG3' HD21 ' B' ' 98' ' ' LEU . 68.8 tttt -82.09 -57.85 3.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.369 -0.832 . . . . 2.12 111.67 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.414 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . . . -50.8 -40.3 55.11 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.989 -1.069 . . . . 0.33 110.314 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.683 ' HB1' ' HZ2' ' B' ' 27' ' ' TRP . . . -71.36 -26.19 62.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.41 109.717 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.57 ' CG ' HD23 ' B' ' 98' ' ' LEU . 78.5 t80 -81.83 -43.41 18.31 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.41 -0.806 . . . . 0.86 109.846 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -40.16 -62.56 0.72 Allowed 'General case' 0 N--CA 1.503 2.184 0 CA-C-O 121.478 0.656 . . . . 1.21 110.956 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -30.83 64.0 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.158 -0.964 . . . . 1.74 110.746 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' B' ' 15' ' ' PHE . . . -58.07 -25.45 61.28 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.927 -1.108 . . . . 0.36 109.798 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.613 HG22 HG21 ' B' ' 24' ' ' VAL . 86.5 t -79.32 -48.84 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.55 110.046 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.26 -45.13 72.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.577 -0.702 . . . . 2.37 111.173 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -88.56 19.36 3.95 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.959 -1.088 . . . . 1.42 111.035 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.01 31.54 4.91 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.29 -0.881 . . . . 2.2 111.168 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.418 ' O ' ' C ' ' B' ' 24' ' ' VAL . 15.8 m -83.7 -33.61 25.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.915 -1.116 . . . . 0.53 110.627 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.613 HG21 HG22 ' B' ' 19' ' ' VAL . 6.5 t -30.55 -50.63 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 N-CA-C 112.484 0.55 . . . . 0.36 112.484 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -53.1 -68.6 0.16 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.325 -0.859 . . . . 1.44 110.675 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -67.88 -29.58 68.73 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.918 -1.114 . . . . 3.05 110.167 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.683 ' HZ2' ' HB1' ' B' ' 14' ' ' ALA . 19.5 t90 -61.4 -35.37 77.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.374 -0.829 . . . . 0.52 110.907 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.501 ' HA ' ' CE2' ' B' ' 95' ' ' PHE . 0.4 OUTLIER -51.76 -45.02 63.57 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.277 -0.889 . . . . 1.77 110.54 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.28 -53.52 57.31 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.579 -0.701 . . . . 1.56 109.986 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.45 ' SD ' HD23 ' B' ' 68' ' ' LEU . 18.0 mtm -46.76 -51.5 16.14 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.735 -0.603 . . . . 1.42 111.077 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.93 -39.45 79.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.147 -0.971 . . . . 1.21 110.302 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.8 -53.95 51.98 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.235 -0.916 . . . . 0.66 109.595 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.76 -42.51 97.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.451 -0.781 . . . . 0.74 110.136 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.495 ' O ' HG12 ' B' ' 37' ' ' VAL . . . -60.34 -48.98 79.4 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.16 -0.962 . . . . 0.37 110.359 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.622 ' HA ' ' HB3' ' B' ' 88' ' ' LEU . . . -63.68 -30.17 71.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.18 -0.95 . . . . 0.69 110.961 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -40.55 68.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 1.75 111.019 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.495 HG12 ' O ' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -71.9 -36.25 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.103 -0.998 . . . . 0.47 110.999 -179.699 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 1.07 HG21 ' HB2' ' B' ' 88' ' ' LEU . 0.7 OUTLIER -62.06 -31.94 72.41 Favored 'General case' 0 N--CA 1.511 2.601 0 O-C-N 120.847 -1.158 . . . . 0.48 111.088 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.46 37.29 1.12 Allowed 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.706 0.765 . . . . 2.26 109.204 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' B' ' 41' ' ' GLU . 33.6 t-20 -114.33 116.31 28.75 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.937 -0.764 . . . . 1.47 108.937 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 40' ' ' ASN . 0.6 OUTLIER -29.47 -64.21 0.11 Allowed 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 112.601 0.593 . . . . 2.11 112.601 -178.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.67 -45.21 89.93 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.281 -0.887 . . . . 2.57 112.087 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.503 ' CE ' HG11 ' B' ' 63' ' ' VAL . 6.8 tpt -69.1 -35.31 76.33 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.842 -1.161 . . . . 0.55 110.415 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.1 66.84 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.331 -0.856 . . . . 1.05 110.568 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.41 -44.88 95.39 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.374 -0.828 . . . . 2.74 109.906 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -38.67 68.31 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.535 -0.728 . . . . 1.72 110.249 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.805 HD21 HD13 ' B' ' 85' ' ' LEU . 0.2 OUTLIER -72.82 -48.9 33.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.522 -0.736 . . . . 0.75 110.722 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.62 65.58 6.97 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.04 -1.038 . . . . 2.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.58 -40.22 1.64 Allowed Glycine 0 N--CA 1.502 3.097 0 O-C-N 121.133 -0.979 . . . . 1.43 111.42 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.88 178.85 8.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.709 -1.465 . . . . 1.55 111.92 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.16 -16.77 60.5 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.554 -0.716 . . . . 2.13 110.375 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.45 117.27 65.35 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.236 -0.915 . . . . 0.81 110.785 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.443 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 42.6 Cg_endo -69.66 -23.39 31.3 Favored 'Trans proline' 0 N--CA 1.492 1.382 0 O-C-N 123.993 1.523 . . . . 0.57 111.974 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.539 ' HG2' ' H ' ' B' ' 55' ' ' THR . 1.6 pt-20 -59.01 -46.76 87.39 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.816 -1.177 . . . . 2.64 111.622 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.539 ' H ' ' HG2' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -52.32 -40.24 61.64 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.137 -0.977 . . . . 1.32 111.593 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 85' ' ' LEU . 1.7 pp -97.23 -21.99 16.96 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.102 -0.999 . . . . 0.39 111.792 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -64.38 0.87 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.973 -1.079 . . . . 0.43 111.644 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.496 ' O ' HG13 ' B' ' 61' ' ' ILE . 3.8 pt-20 -69.38 -33.97 73.84 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 120.825 -1.172 . . . . 2.53 110.677 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -56.34 -43.82 79.45 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.79 -1.194 . . . . 0.92 110.139 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.919 ' HE2' HG23 ' B' ' 38' ' ' THR . 55.8 t80 -62.73 -58.78 6.28 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.43 -0.794 . . . . 0.51 111.827 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 58' ' ' GLU . 2.6 pp -58.54 -27.89 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.334 0 O-C-N 120.656 -1.278 . . . . 1.36 110.677 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.6 -51.38 17.06 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.122 -0.986 . . . . 0.64 110.721 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.691 HG12 ' O ' ' B' ' 60' ' ' PHE . 5.5 p -56.66 -22.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.126 -0.984 . . . . 0.47 111.017 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' CYS . . . . . 0.461 ' O ' ' HG2' ' B' ' 67' ' ' GLN . 8.3 t -72.65 -13.57 61.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.129 -0.982 . . . . 0.58 110.779 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.75 34.0 7.14 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.133 -1.187 . . . . 1.34 110.133 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 48.51 21.48 0.4 Allowed 'General case' 0 N--CA 1.508 2.455 0 O-C-N 121.735 -0.862 . . . . 2.83 112.508 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 64' ' ' CYS . 0.0 OUTLIER -93.06 45.34 1.17 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.522 -1.361 . . . . 1.85 111.304 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.45 HD23 ' SD ' ' B' ' 30' ' ' MET . 18.1 mt -127.15 125.08 40.53 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.201 -0.937 . . . . 0.73 110.385 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -65.41 174.5 2.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.402 -0.811 . . . . 1.12 110.599 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -38.47 -55.24 1.42 Allowed 'General case' 0 N--CA 1.51 2.551 0 O-C-N 121.461 -0.774 . . . . 2.63 111.695 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . 0.502 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 3.5 p-10 -54.83 -35.28 63.78 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.02 -1.05 . . . . 2.14 111.824 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' B' ' 68' ' ' LEU . . . -61.74 -39.41 97.4 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 109.411 -1.476 . . . . 0.2 109.411 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.464 HE21 HD13 ' B' ' 61' ' ' ILE . 10.8 mt-30 -76.81 -38.56 53.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.451 -1.029 . . . . 0.95 109.99 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.82 -40.82 83.77 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.399 -0.813 . . . . 0.81 110.676 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.524 ' HG ' ' HG3' ' B' ' 79' ' ' MET . 0.4 OUTLIER -65.42 -52.92 49.94 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.284 -0.885 . . . . 0.15 111.616 -179.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.519 HG23 HD11 ' B' ' 85' ' ' LEU . 31.7 mm -54.72 -42.62 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.093 -1.004 . . . . 0.21 111.243 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -54.44 32.53 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.775 -1.203 . . . . 2.43 109.55 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.42 -45.53 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.285 -0.884 . . . . 0.32 109.555 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.738 ' CB ' HD23 ' B' ' 85' ' ' LEU . 2.4 mmm -58.68 -40.9 84.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.45 -0.781 . . . . 0.32 109.448 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' B' ' 85' ' ' LEU . . . -71.05 -40.05 71.89 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.19 -0.944 . . . . 0.49 109.125 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.97 -30.74 36.74 Favored 'General case' 0 N--CA 1.502 2.141 0 CA-C-O 121.368 0.604 . . . . 1.86 110.498 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.61 5.94 40.58 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.139 -0.976 . . . . 2.08 111.675 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.34 39.42 87.66 Favored Glycine 0 N--CA 1.501 2.997 0 O-C-N 120.795 -1.191 . . . . 2.25 110.99 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ARG . . . . . 0.621 ' NH1' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -160.24 33.08 0.17 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.299 -1.118 . . . . 4.22 111.657 179.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.805 HD13 HD21 ' B' ' 47' ' ' LEU . 0.2 OUTLIER -60.76 -23.8 65.25 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 120.852 -1.155 . . . . 0.51 110.584 178.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -71.41 -7.03 44.65 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.547 -1.346 . . . . 1.59 111.44 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.429 ' O ' HG13 ' B' ' 91' ' ' VAL . . . -85.59 40.69 0.86 Allowed 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.924 -1.11 . . . . 0.68 111.123 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 1.07 ' HB2' HG21 ' B' ' 38' ' ' THR . 0.0 OUTLIER -68.39 -40.09 18.56 Favored Pre-proline 0 N--CA 1.5 2.051 0 O-C-N 120.862 -1.148 . . . . 0.51 111.143 179.206 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' B' ' 88' ' ' LEU . 39.7 Cg_endo -69.11 -35.75 13.92 Favored 'Trans proline' 0 N--CA 1.487 1.112 0 N-CA-C 108.937 -1.216 . . . . 0.48 108.937 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . 0.461 ' C ' ' HB1' ' B' ' 7' ' ' ALA . 1.5 m-20 -51.43 -33.92 32.78 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.677 0.751 . . . . 1.7 109.182 177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.583 HG12 ' CB ' ' B' ' 7' ' ' ALA . 0.8 OUTLIER -89.75 -37.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 O-C-N 121.301 -0.875 . . . . 1.51 109.748 179.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.585 ' HB3' ' HA ' ' B' ' 89' ' ' PRO . 1.1 tp -52.68 -55.65 21.07 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.379 -0.826 . . . . 0.53 110.405 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -52.26 -42.99 64.13 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.51 -0.744 . . . . 1.58 109.656 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.49 ' HB3' ' CB ' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -64.37 -47.21 80.14 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.455 -0.778 . . . . 0.39 109.719 178.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' B' ' 28' ' ' GLN . 1.1 t80 -58.66 -45.75 88.69 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.544 -0.723 . . . . 1.41 111.255 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.29 -43.06 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 121.046 -1.034 . . . . 0.54 109.814 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -65.96 -38.73 89.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.435 -0.791 . . . . 1.39 109.882 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.64 HD21 ' HG3' ' B' ' 12' ' ' LYS . 1.1 mp -57.34 -41.35 79.88 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.152 -0.968 . . . . 0.46 109.209 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.7 -50.19 73.45 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.426 -0.909 . . . . 3.01 108.593 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.44 65.85 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.272 -0.893 . . . . 0.69 110.058 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.45 -39.68 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.051 -1.031 . . . . 1.63 109.179 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.7 t -72.61 -33.1 66.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.166 -0.959 . . . . 1.58 109.168 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.57 37.28 0.86 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.584 -0.697 . . . . 2.12 110.141 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.48 -28.35 0.59 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.139 -0.976 . . . . 1.91 111.874 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.5 2.053 0 CA-C-O 117.73 -1.129 . . . . 3.01 110.796 -179.157 . . . . . . . . 0 0 . 1 stop_ save_